%0 Electronic Source%I http://www.terarecon.com

%0 Computer Program%D 3D version: 1997%T 3D-PLTORB%C San Diego%! 3D-PLTORB

%0 Book%D 1976%T Structure Data of Free Polyatomic Molecules%E Hellwege, K.H.%E Hellwege, A.U.%C Berlin%I Springer%! Structure Data of Free Polyatomic Molecules

%0 Computer Program%D 1993%T PCMODEL%C Bloomington%I Serena Sofware%7 5.0%! PCMODEL

%0 Computer Program%D 1995%T DMol%C San Diego, CA%I Biosym Technologies%! DMol

%0 Report%A 42, U.S. Code Citation%D 1997%T Clean Air Act (CAA) Amendment%9 USC 7412%! Clean Air Act (CAA) Amendment%@ Public Law No. 101-549

%0 Journal Article%A Abegg, P. W.%D 1975%T Ab initio calculation of spin-orbit coupling constants for Gaussian lobe and Gaussian-type wave functions%B Mol. Phys.%V 30%P 579%! Ab initio calculation of spin-orbit coupling constants for Gaussian lobe and Gaussian-type wave functions%F Abe75

%0 Book Section%A Abraham, R.J.%A Bretschneider, E.%D 1974%E Orville-Thomas, W.J.%B Internal Rotation in Molecules%C New York%I Wiley%P 481-584

%0 Journal Article%A Abraham, R.J.%A Chadwick, D.J.%A Sancassan, F.%D 1982%T Conformational Analysis - V. A Lanthanide Induced Shift (LIS) NMR Investigation of Conformational Isomerism in Aromatic Aldehydes and Ketones%B Tetrahedron%V 38%P 3245-3254%! Conformational Analysis - V. A Lanthanide Induced Shift (LIS) NMR Investigation of Conformational Isomerism in Aromatic Aldehydes and Ketones

%0 Journal Article%A Abraham, R.J.%A Chadwick, D.J.%A Sancassan, F.%D 1982%T Conformational Analysis - III. A Lanthanide Induced Shift (LIS) NMR Investigation of Benzaldehyde, and Thiophen- and Furan-2-Aldehyde%B Tetrahedron%V 38%P 1485-1491%! Conformational Analysis - III. A Lanthanide Induced Shift (LIS) NMR Investigation of Benzaldehyde, and Thiophen- and Furan-2-Aldehyde

%0 Journal Article%A Abraham, R.J.%A Siverns, T.M.%D 1972%T Rotational Isomerism - XIII. Rotational Isomerism in Furfuraldehyde%B Tetrahedron%V 28%P 3015-3023%! Rotational Isomerism - XIII. Rotational Isomerism in Furfuraldehyde

%0 Book%A Abramowitz, M.%A Stegun, I. A.%D 1970%T Handbook of Mathematical Functions%C New York%I Dover%! Handbook of Mathematical Functions%F Abr70

%0 Artwork%A (ACES)%1 {\rm {\sc aces~ii} is a coupled-cluster and MBPT electronic structure program. Written mainly by J.~F.~Stanton, J.~Gauss, J.~D.~Watts, W.~J.~Lauderdale, and R.~J.~Bartlett, it also includes contributions from J.~Alml{\"of}, T.~Helgaker, H.~J.~Aa.~Jensen, P.~J{\o}rgensen, and P.~R.~Taylor}%F aces

%0 Journal Article%A Achiba, Y.%A Kittaka, C.%A Moriwaki, T.%A Shiromaru, H.%D 1991%T Evidence of linear chain for n 10 carbon negative ion clusters revealed by mass selected photodetachment spectroscopy%B Z. Phys. D%V 19%P 427-429%! Evidence of linear chain for n 10 carbon negative ion clusters revealed by mass selected photodetachment spectroscopy%J Zeitschrift fr Physik D: Atoms, molecules, and clusters%F Ach91

%0 Journal Article%A Adachi, A.%A Gendelman, H. E.%A Koenig, S.%A Folks, T.%A Willey, R.%A Rabson, A.%A Martin, M. A.%D 1986%T Production of Acquired Immunodeficiency Syndrome-Associated Retrovirus in Human and Nonhuman Cells transfected with an Infectious Molecular Clone.%B J. Virol.%V 59%P 284-291%! Production of Acquired Immunodeficiency Syndrome-Associated Retrovirus in Human and Nonhuman Cells transfected with an Infectious Molecular Clone.

%0 Journal Article%A Adachi, A.%A Ono, N.%A Sakai, H.%A Ogawa, K.%A Shibata, R.%A Kiyomasu, T.%A Masuike, H.%A Ueda, S.%D 1991%T Generation and characterization of the human immunodeficiency virus type 1 mutants%B Arch. Virol.%V 117%P 45-58%! Generation and characterization of the human immunodeficiency virus type 1 mutants

%0 Journal Article%A Adamo, C.%A Barone, V.%D 1998%B J. Chem. Phys.%V 108%P 664

%0 Journal Article%A Adamowicz, L.%D 1981%T Basis set generation for the SCF calculation%B Int. J. Quantum Chem.%V 19%P 545%! Basis set generation for the SCF calculation%F Ada81

%0 Journal Article%A Adamowicz, L.%D 1989%T Tautomeric equilibria of 2-pyridone/2-hydroxypyridine. Ab initio coupled cluster calculations with first-order correlation orbitals%B Chem. Phys. Lett.%V 161%P 73-78%! Tautomeric equilibria of 2-pyridone/2-hydroxypyridine. Ab initio coupled cluster calculations with first-order correlation orbitals%F Ada89

%0 Journal Article%A Adamowicz, L.%D 1989%T Coupled cluster method with first-order correlation orbitals versus multireference configuration interaction method. Accurate calculations for HF, H2O, and NH3%B J. Comp. Chem.%V 10%P 928-934%! Coupled cluster method with first-order correlation orbitals versus multireference configuration interaction method. Accurate calculations for HF, H2O, and NH3%F Ada89a

%0 Journal Article%A Adamowicz, L.%D 1990%T First-order correlation orbitals for the spin-unrestricted Hartree-Fock zero-order wave function. Electron affinities of C4 clusters%B J. Chem. Phys.%V 93%N 9%P 6685-6693%! First-order correlation orbitals for the spin-unrestricted Hartree-Fock zero-order wave function. Electron affinities of C4 clusters%F Ada90

%0 Journal Article%A Adamowicz, L.%D 1991%T Metastable optical excitations of linear C5-%B Chem. Phys. Lett.%V 180%N 5%P 466-471%! Metastable optical excitations of linear C5-%F Ada91

%0 Journal Article%A Adamowicz, L.%A Bartlett, R. J.%D 1988%T Very accurate correlated calculations on diatomic molecules with numerical orbitals: the hydrogen fluoride molecule%B Phys. Rev. A%V 37%P 1%! Very accurate correlated calculations on diatomic molecules with numerical orbitals: the hydrogen fluoride molecule%F Ada88

%0 Journal Article%A Adamowicz, L.%A Bartlett, R. J.%A McCullough Jr., E. A.%D 1985%T Towards numerical solution of the Schrdinger equation for diatomic molecules%B Phys. Rev. Lett.%V 54%P 426-429%! Towards numerical solution of the Schrdinger equation for diatomic molecules%F Ada85

%0 Journal Article%A Adamowicz, L.%A Kurtz, J.%D 1989%T Theoretical studies of C5 with first-order correlation orbitals and the coupled cluster method%B Chem. Phys. Lett.%V 162%P 342-348%! Theoretical studies of C5 with first-order correlation orbitals and the coupled cluster method%F Ada89b

%0 Journal Article%A Adamowicz, L.%A Laidig, W. D.%A Bartlett, R. J.%D 1984%T Analytical gradients for the coupled-cluster method%B Int. J. Quantum Chem. Symp.%V 18%P 245%! Analytical gradients for the coupled-cluster method%F Ada84

%0 Journal Article%A Adamowicz, L.%A Sadlej, A. J.%D 1977%T Gaussian geminal basis set optimization with crude SCF reference state%B Chem. Phys. Lett.%V 48%P 305%! Gaussian geminal basis set optimization with crude SCF reference state%F Ada77

%0 Journal Article%A Adamowicz, L.%A Sadlej, A. J.%D 1977%T Perturbation calculation of molecular correlation energy using Gaussian-type geminals. Second- and third-order pair energy of H2%B J. Chem. Phys.%V 67%P 4298%! Perturbation calculation of molecular correlation energy using Gaussian-type geminals. Second- and third-order pair energy of H2%F Ada77a

%0 Journal Article%A Adamowicz, L.%A Sadlej, A. J.%D 1978%T Second-order correlation correction to the coupled Hartree-Fock polarizability of Be%B Chem. Phys. Lett.%V 53%P 377%! Second-order correlation correction to the coupled Hartree-Fock polarizability of Be%F Ada78%O Gaussian geminals

%0 Journal Article%A Adamowicz, L.%A Sadlej, A. J.%D 1978%T Perturbation calculation of molecular correlation energy using Gaussian-type geminals. Second-order pair energies of LiH and BH%B J. Chem. Phys.%V 69%P 3992%! Perturbation calculation of molecular correlation energy using Gaussian-type geminals. Second-order pair energies of LiH and BH%F Ada78a

%0 Journal Article%A Adams, B. G.%A Jankowski, K.%A Paldus, J.%D 1979%T Quasi-degeneracy and coupled-pair theories%B Chem. Phys. Lett.%V 67%P 144-148%! Quasi-degeneracy and coupled-pair theories%F Ada79

%0 Journal Article%A Adams, M. D.%A al., et%D 1995%T Initial assessment of human gene diversity and expression patterns based upon 83 million nucleotides of cDNA sequence%B Nature%V 377 Sup.%P 3-17%! Initial assessment of human gene diversity and expression patterns based upon 83 million nucleotides of cDNA sequence

%0 Journal Article%A Adhya, S. %A Garges, S.%D 1990%T Positive Control%B J. Biol. Chem.%V 265%P 10797-10800%! Positive Control

%0 Journal Article%A Adjidjonou, K.%A Caze, C.%D 1994%T Asymmetric Reduction of Acetophenone With Chiral Polymeric Reagents - Supported Sodium Borohydride On Chiral Quaternary Ammonium Binded to a Polymer%B European Polymer Journal%V 30%N 3%P 395-398%! Asymmetric Reduction of Acetophenone With Chiral Polymeric Reagents - Supported Sodium Borohydride On Chiral Quaternary Ammonium Binded to a Polymer%O ArticleReprint: CAZE C

%0 Journal Article%A Adjidjonou, K.%A Caze, C.%D 1995%T Asymmetric Reduction of Acetophenone With Chiral Polymeric Reagents - Supported Sodium Borohydride On Chiral Amino-Alcohol Bound to a Polymer%B European Polymer Journal%V 31%N 8%P 749-754%! Asymmetric Reduction of Acetophenone With Chiral Polymeric Reagents - Supported Sodium Borohydride On Chiral Amino-Alcohol Bound to a Polymer%O ArticleReprint: CAZE C

%0 Journal Article%A Adzuma, K.%A Mizuuchi, K.%D 1989%T Interaction of Proteins Located at a Distance Along DNA: Mechanism of Target Immunity in the Mu DNA Strand-Transfer Reaction%B Cell%V 57%P 41-47%! Interaction of Proteins Located at a Distance Along DNA: Mechanism of Target Immunity in the Mu DNA Strand-Transfer Reaction

%0 Report%A Agency, California Environmental Protection%D 1998%T Evidence on the carcinogenicity of MTBE%C Sacramento%I Office of Environmental Health Hazard Assessment.%! Evidence on the carcinogenicity of MTBE%@ http://www.oehha.org/docs/Dmtbernr.htm

%0 Journal Article%A Aggarwal, A. K.%A Rogers, D. W.%A Drottar, M.%A Ptashne, M.%A Harrison, S. C.%D 1988%T Recognition of a DNA Operator by the Repressor of Phage 434: A View at High Resolution %B Science%V 242%P 899-907%! Recognition of a DNA Operator by the Repressor of Phage 434: A View at High Resolution

%0 Journal Article%A Aguilar, M. A.%A Olivares del Valle, F. J.%A Tomasi, J.%D 1991%T Electron Correlation and Solvation Effects. II. The description of the Vibrational Properties of a Water Molecule in a Dielectric Given by the Application of the Polarizable Continuum Model with Inclusion of Correlation Effects.%B Chem. Phys.%V 150%P 151-161%! Electron Correlation and Solvation Effects. II. The description of the Vibrational Properties of a Water Molecule in a Dielectric Given by the Application of the Polarizable Continuum Model with Inclusion of Correlation Effects.

%0 Journal Article%A Aguilar, M.A.%A Olivares del Valle, F. J.%A Tomasi, J.%D 1993%T Nonequilibrium Solvation: An Ab Initio Quantum-Mechanical Method in the Continuum Cavity Model Approximation%B J. Chem. Phys.%V 98%P 7375%! Nonequilibrium Solvation: An Ab Initio Quantum-Mechanical Method in the Continuum Cavity Model Approximation

%0 Journal Article%A Ahern, A. M.%A Garrell, R. L.%A Jordan, K. D.%D 1988%T Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene%B J. Phys. Chem.%V 92%P 6228%! Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene%F Ahe88

%0 Journal Article%A Ahlrichs, R.%D 1974%T (Gaussian lobe function integrals)%B Theoret. Chim. Acta%V 33%P 157%! (Gaussian lobe function integrals)%F Ahl74

%0 Journal Article%A Ahlrichs, R.%D 1979%T Many body perturbation calculations and coupled electron pair models%B Comput. Phys. Commun.%V 17%P 31-45%! Many body perturbation calculations and coupled electron pair models%F Ahl79

%0 Journal Article%A Ahlrichs, R.%A Br, M.%A Hser, M.%A Horn, H.%A Klmel, C.%D 1989%T Electronic structure calculations on workstation computers: the program system TURBOMOLE%B Chem. Phys. Lett.%V 162%N 3%P 165-169%! Electronic structure calculations on workstation computers: the program system TURBOMOLE%F Ahl89

%0 Journal Article%A Ahlrichs, R.%A Bhm, H-J.%A Ehrhardt, C.%A Scharf, P.%A Schiffer, H.%A Lischka, H.%A Schindler, M.%D 1985%T Implementation of an electronic structure program on the CYBER 205%B J. Comp. Chem.%V 6%P 200%! Implementation of an electronic structure program on the CYBER 205%F Ahl85

%0 Journal Article%A Ahlrichs, R.%A Hoffmann-Ostenhof, M.%A Hoffmann-Ostenhof, T.%A Morgan, J. D.%D 1981%T Bounds on the decay of electron densities with screening%B Phys. Rev. A%V 23%P 2106%! Bounds on the decay of electron densities with screening%F Ahl81a

%0 Journal Article%A Ahlrichs, R.%A Lischka, H.%A Staemmler, V.%A Kutzelnigg, W.%D 1975%T (PNO-CI I)%B J. Chem. Phys.%V 62%P 1225%! (PNO-CI I)%F Ahl75

%0 Journal Article%A Ahlrichs, R.%A P., Scharf.%D 1987%T The coupled-pair approximation%B Adv. Chem. Phys.%V 67%P 501-537%! The coupled-pair approximation%F Ahl87

%0 Journal Article%A Ahlrichs, R.%A Scharf, P.%A Ehrhardt, C.%D 1985%T The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional%B J. Chem. Phys.%V 82%P 890%! The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional%F Ahl85a

%0 Journal Article%A Ahlrichs, R.%A Taylor, P. R.%D 1981%T The choice of Gaussian basis sets for molecular electronic structure calculations%B J. Chim. Physique%V 78%P 315%! The choice of Gaussian basis sets for molecular electronic structure calculations%F Ahl81

%0 Journal Article%A Ahlrichs, R.%A Taylor, P. R.%D 1982%T The structure of F$_2$O$_2$%B Chem. Phys.%V 72%P 287%! The structure of F$_2$O$_2$%F Ahl82

%0 Journal Article%A Aihara, J.%D 1979%B J. Am. Chem. Soc.%V 101%P 558-60

%0 Journal Article%A Aihara, J.%D 1986%B Bull. Chem. Soc. Jpn.%V 59%P 3781-89

%0 Journal Article%A Aihara, J.%D 1990%T Chemical Evolution, Biosynthesis, and Aromaticity%B Bulletin Of the Chemical Society Of Japan%V 63%N 10%P 2899-2903%! Chemical Evolution, Biosynthesis, and Aromaticity%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1990%T Effect Of Bond-Length Alternation On the Aromaticity Of Benzene%B Bulletin Of the Chemical Society Of Japan%V 63%N 7%P 1956-1960%! Effect Of Bond-Length Alternation On the Aromaticity Of Benzene%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1992%T Why Aromatic Compounds Are Stable%B Scientific American%V 266%N 3%P 62-68%! Why Aromatic Compounds Are Stable%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1992%T Is Superaromaticity a Fact or an Artifact - the Kekulene Problem%B Journal Of the American Chemical Society%V 114%N 3%P 865-868%! Is Superaromaticity a Fact or an Artifact - the Kekulene Problem%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1994%T Lack Of Superaromaticity In Carbon Nanotubes%B Journal Of Physical Chemistry%V 98%N 39%P 9773-9776%! Lack Of Superaromaticity In Carbon Nanotubes%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1994%T Aromaticity and Superaromaticity In Cyclopolyacenes%B Journal Of the Chemical Society-Perkin Transactions 2%N 5%P 971-974%! Aromaticity and Superaromaticity In Cyclopolyacenes%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1995%T Kinetic Stability Of Fullerenes With Four-Membered Rings%B Journal Of the Chemical Society-Faraday Transactions%V 91%N 24%P 4349-4353%! Kinetic Stability Of Fullerenes With Four-Membered Rings%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1995%T Bond Resonance Energy and Verification Of the Isolated Pentagon Rule%B Journal Of the American Chemical Society%V 117%N 14%P 4130-4136%! Bond Resonance Energy and Verification Of the Isolated Pentagon Rule%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1995%T Non-Superaromatic Reference Defined By Graph Theory For a Super-Ring Molecule%B Journal Of the Chemical Society-Faraday Transactions%V 91%N 2%P 237-239%! Non-Superaromatic Reference Defined By Graph Theory For a Super-Ring Molecule%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%D 1996%T Bond Resonance Energies Of Polycyclic Benzenoid and Non-Benzenoid Hydrocarbons%B Journal Of the Chemical Society-Perkin Transactions 2%N 10%P 2185-2195%! Bond Resonance Energies Of Polycyclic Benzenoid and Non-Benzenoid Hydrocarbons%O ArticleReprint: AIHARA J

%0 Journal Article%A Aihara, J.%A Tamaribuchi, T.%D 1994%T Aromatic Character Of Graphite Intercalation Compounds%B Journal Of the Chemical Society-Faraday Transactions%V 90%N 23%P 3513-3516%! Aromatic Character Of Graphite Intercalation Compounds%O ArticleReprint: AIHARA J

%0 Journal Article%A Aiyar, A.%A Hindmarsh, P.%A Skalka, A. M.%A Leis, J.%D 1996%T Concerted integration of linear retroviral DNA by the avain sarcoma virus integrase in vitro: dependence on both long terminal repeat termini%B J. Virol.%V 70%P 3571-3580%! Concerted integration of linear retroviral DNA by the avain sarcoma virus integrase in vitro: dependence on both long terminal repeat termini

%0 Journal Article%A Ajito, K.%A Takahasi, M.%A Ito, M.%D 1989%T Vibrational frequency shift induced by protonation on pyridine studied by ab initio molecular orbital calculation%B Chem. Phys. Lett.%V 158%P 193%! Vibrational frequency shift induced by protonation on pyridine studied by ab initio molecular orbital calculation%F Aji89

%0 Journal Article%A Akamanchhi, K.G.%A Noorani, V.R.%D 1995%T Truly Catalytic Meerwein-Ponndorf-Verley (MPV) Reduction%B Tet. Lett.%V 36%P 3571-3572%! Truly Catalytic Meerwein-Ponndorf-Verley (MPV) Reduction

%0 Journal Article%A Alberts, I. L.%A Grev, R. S.%A Schaefer III, H. F.%D 1990%T Geometrical structure and vibrational frequencies of the energetically low-lying isomers of SiC3%B J. Chem. Phys.%V 93%N 7%P 5046-5052%! Geometrical structure and vibrational frequencies of the energetically low-lying isomers of SiC3%F Alb90a

%0 Journal Article%A Alberts, I. L.%A Handy, N. C.%D 1988%T Mller-Plesset third order calculations with large basis sets%B J. Chem. Phys.%V 89%P 2107%! Mller-Plesset third order calculations with large basis sets%F Alb88

%0 Journal Article%A Alberts, I. L.%A Handy, N. C.%A Simandiras, E. D.%D 1988%T The structure and harmonic vibrational frequencies of the weakly bound complexes formed by HF with CO,CO2 and N2O%B Theor. Chim. Acta%V 74%P 415%! The structure and harmonic vibrational frequencies of the weakly bound complexes formed by HF with CO,CO2 and N2O%F Alb88a

%0 Journal Article%A Alberts, I. L.%A Schaefer III, H. F.%D 1990%T The boron-carbon triple bond (-B=C-): some theoretical predictions%B Chem. Phys. Lett.%V 165%P 250-256%! The boron-carbon triple bond (-B=C-): some theoretical predictions%F Alb90

%0 Journal Article%A Albright, T.A.%A Hofmann, P.%A Hoffmann, R.%D 1977%B J. Am. Chem. Soc.%V 99%P 7546

%0 Journal Article%A Aldaz, H.%A Schuster, E.%A Baker, T.A.%D 1996%T The interwoven architecture of the Mu transposase couples DNA synapsis to catalysis%B Cell%V 85%P 257-269%! The interwoven architecture of the Mu transposase couples DNA synapsis to catalysis

%0 Journal Article%A Alder, R. W.%D 1990%T Intrabridgehead Chemistry%B Tetrahedron%V 46%P 683-713%! Intrabridgehead Chemistry

%0 Journal Article%A Alexander, S. A.%A Monkhorst, H. J.%A Roeland, R.%A Szalewicz, K.%D 1990%T Obtaining microhartree accuracy for two-electron systesm with random-tempered Gaussian-type geminals%B J. Chem. Phys.%V 93%P 4230%! Obtaining microhartree accuracy for two-electron systesm with random-tempered Gaussian-type geminals%F Ale90

%0 Journal Article%A Alexandratos, S. D.%D 1992%T Polymer-Supported Reagents With Enhanced Ionic Recognition%B Separation and Purification Methods%V 21%N 1%P 1-22%! Polymer-Supported Reagents With Enhanced Ionic Recognition%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Crick, D. W.%D 1996%T Polymer-Supported Reagents - Application to Separation Science%B Industrial & Engineering Chemistry Research%V 35%N 3%P 635-644%! Polymer-Supported Reagents - Application to Separation Science%O ARTICLE - ReviewReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Crick, D. W.%A Quillen, D. R.%D 1991%T Development of Bifunctional Polymers For Metal Ion Separations - Ionic Recognition With Polymer-Supported Reagents%B Industrial & Engineering Chemistry Research%V 30%N 4%P 772-778%! Development of Bifunctional Polymers For Metal Ion Separations - Ionic Recognition With Polymer-Supported Reagents%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Grady, C. E.%A Merda, P.%A Kaiser, P. T.%D 1992%T Binding Constants As a Probe of the Microenvironment in Polymer-Supported Reagents%B Journal of the American Chemical Society%V 114%N 8%P 3078-3080%! Binding Constants As a Probe of the Microenvironment in Polymer-Supported Reagents%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Hussain, L. A.%D 1998%T Synthesis of alpha-, beta-, and gamma-ketophosphonate polymer-supported reagents: The role of intra-ligand cooperation in the complexation of metal ions%B Macromolecules%V 31%N 10%P 3235-3238%! Synthesis of alpha-, beta-, and gamma-ketophosphonate polymer-supported reagents: The role of intra-ligand cooperation in the complexation of metal ions%O ArticleReprint: Alexandratos, SD

%0 Journal Article%A Alexandratos, S. D.%A Kaiser, P. T.%D 1989%T Polymer-Supported Reagents For Molecular Separations%B Solvent Extraction and Ion Exchange%V 7%N 5%P 909-923%! Polymer-Supported Reagents For Molecular Separations%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Kaiser, P. T.%D 1990%T Molecular Recognition By Polymer-Supported Reagents Defined Through Linear Free-Energy Relationship Studies%B Industrial & Engineering Chemistry Research%V 29%N 7%P 1306-1312%! Molecular Recognition By Polymer-Supported Reagents Defined Through Linear Free-Energy Relationship Studies%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Kaiser, P. T.%A Grady, C. E.%D 1991%T Network Structure As a Variable in Molecular Recognition By Polymer-Supported Reagents%B Solvent Extraction and Ion Exchange%V 9%N 2%P 309-318%! Network Structure As a Variable in Molecular Recognition By Polymer-Supported Reagents%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Alexandratos, S. D.%A Miller, D. H. J.%D 1996%T Microenvironmental Effect in Polymer-Supported Reagents .1. Influence of Copolymer Architecture On the Mitsunobu Reaction%B Macromolecules%V 29%N 25%P 8025-8029%! Microenvironmental Effect in Polymer-Supported Reagents .1. Influence of Copolymer Architecture On the Mitsunobu Reaction%O ArticleReprint: ALEXANDRATOS SD

%0 Journal Article%A Algranati, M.%A Feldman, H.%A Kella, D.%A Malkin, E.%A Miklazky, E.%D 1989%T The structure of C4 as studied by the coulomb explosion method%B J. Chem. Phys.%V 90%P 4617%! The structure of C4 as studied by the coulomb explosion method%F Alg89

%0 Journal Article%A Aliev, M. R.%A Watson, J. K. G.%D 1976%T Calculated sextic centrifugal distortion constants of polyatomic molecules%B J. Mol. Spectr.%V 61%P 29-52%! Calculated sextic centrifugal distortion constants of polyatomic molecules%F Ali76

%0 Journal Article%A Alkhatib, G.%A Combadiere, C.%A Broder, C. C.%A Feng, Y.%A Kennedy, P. E.%A Murphy, P. M.%A Berger, E. A.%D 1996%T CC CKR5: a Rantes, MIP-1alpha, MIP-1beta receptor as a fusion cofactor for macrophage-trophic HIV-1%B Science%V 272%P 1955-1958%! CC CKR5: a Rantes, MIP-1alpha, MIP-1beta receptor as a fusion cofactor for macrophage-trophic HIV-1

%0 Journal Article%A Allen, F.%A Kennard, O.%A Watson, D.G.%A Brammer, L.%A Orpen, A.G.%A Taylor, R.%D 1987%B J. Chem. Soc., Perkin Trans II%V S1

%0 Journal Article%A Allen, G.%A Bernstein, H.J.%D 1955%B Can. J. chem.%V 33%P 1055-1061

%0 Journal Article%A Allen, L. C.%A Karo, A. M.%D 1960%T Basis functions for ab initio calculations%B Rev. Mod. Phys.%V 32%P 275%! Basis functions for ab initio calculations%F All60

%0 Journal Article%A Allen, P.%A Worland, S.%A Gold, L.%D 1995%T Isolation of high-affinity RNA ligands to HIV-1 integrase from a random pool.%B Virology%V 209%P 327-336%! Isolation of high-affinity RNA ligands to HIV-1 integrase from a random pool.

%0 Journal Article%A Allen, W. D.%A Yamaguchi, Y.%A Csazszar, A. G.%A Clabo Jr., D. A.%A Remington, R. B.%A Schaefer III, H. F.%D 1990%T A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules%B Chem. Phys.%V 145%P 427-466%! A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules%F All90

%0 Journal Article%A Allinger, N.L.%A Chen, K.%A Katzenellenbogen, J.A.%A Wilson, S.R.%A Anstead, G.M.%D 1996%B J. Comp. Chem.%V 17%P 747

%0 Book Section%A Almlf, J.%D 1986%T Chemical applications of energy derivatives: frequency shifts as a probe of molecular structure in weak complexes%E Simons, P. Jrgensen and J.%B Geometrical derivatives of energy surfaces and molecular properties (NATO ASI Series)%C Dordrecht, Boston%I D. Reidel%P 289%! Chemical applications of energy derivatives: frequency shifts as a probe of molecular structure in weak complexes%F Alm86

%0 Book Section%A Almlf, J.%D 1986%T Chemical applications of energy derivatives: are second derivatives enough?%E Simons, P. Jrgensen and J.%B Geometrical derivatives of energy surfaces and molecular properties (NATO ASI Series)%C Dordrecht, Boston%I D. Reidel%P 303%! Chemical applications of energy derivatives: are second derivatives enough?%F Alm86a

%0 Journal Article%A Almlf, J.%A DeLeeuw, B. J.%A Taylor, P. R.%A Bauschlicher, C. W.%A Siegbahn, P.%D 1989%T The dissociation energy of N$_2$%B Int. J. Quantum Chem. Symp.%V 23%P 345%! The dissociation energy of N$_2$%F Alm89

%0 Journal Article%A Almlf, J.%A Faegri Jr., K.%D 1983%T Basis set effects in HF-studies on aromatic molecules: HF calculations of properties in benzene and hexafluorobenzene%B J. Chem. Phys.%V 79%P 2284%! Basis set effects in HF-studies on aromatic molecules: HF calculations of properties in benzene and hexafluorobenzene%F Alm83

%0 Journal Article%A Almlf, J.%A Faegri Jr., K. %A Korsell, K.%D 1982%T Principles for a direct SCF approach to LCAO-MO ab-initio calculations%B J. Comp. Chem.%V 3%P 385%! Principles for a direct SCF approach to LCAO-MO ab-initio calculations%F Alm82

%0 Journal Article%A Almlf, J.%A Helgaker, T.%D 1981%T Basis set considerations for the calculation of gradients in the LCAO formulation%B Chem. Phys. Lett.%V 83%P 125%! Basis set considerations for the calculation of gradients in the LCAO formulation%F Alm81

%0 Journal Article%A Almlf, J.%A Helgaker, T.%A Taylor, P. R.%D 1988%T Gaussian basis sets for high-quality {\em ab initio\/} calculations%B J. Phys. Chem.%V 92%P 3029%! Gaussian basis sets for high-quality {\em ab initio\/} calculations%F Alm88

%0 Journal Article%A Almlof, J.%A Roos, B.%A Wahlgren, U.%A Johansen, H.%D 1973%T The electronic Structure of the Azabenzenes. An Ab Initio MO-SCF-LCAO Study%B J. Elect. Spect. Rel. Phen.%V 2%P 51-74%! The electronic Structure of the Azabenzenes. An Ab Initio MO-SCF-LCAO Study

%0 Journal Article%A Almlf, J.%A Taylor, P.%D 1985%T Molecular properties from perturbation theory: a unified treatment of energy derivatives%B Int. J. Quantum Chem.%V 27%P 743%! Molecular properties from perturbation theory: a unified treatment of energy derivatives%F Alm85

%0 Book Section%A Almlf, J.%A Taylor, P. R.%D 1984%T Direct SCF and MCSCF methods%E Dykstra, C. E.%B Advanced theories and computational approaches to the electronic structure of molecules%C Dordrecht%I Reidel%! Direct SCF and MCSCF methods%F Alm84

%0 Journal Article%A Almlf, J.%A Taylor, P. R.%D 1987%T General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second row atoms%B J. Chem. Phys.%V 86%P 4070%! General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second row atoms%F Alm87

%0 Journal Article%A Almlf, J.%A Taylor, P. R.%D 1990%T General contraction of Gaussian basis sets. II. Atomic natural orbitals and the calculation of atomic and molecular properties%B J. Chem. Phys.%V 92%P 551%! General contraction of Gaussian basis sets. II. Atomic natural orbitals and the calculation of atomic and molecular properties%F Alm90

%0 Journal Article%A Almlf, J.%A Taylor, P. R.%D 1992%T Atomic natural orbital basis sets for LCAO calculations%B Adv. Quantum Chem.%V 22%P 301%! Atomic natural orbital basis sets for LCAO calculations%F Alm92

%0 Journal Article%A Almlof, J.%A Truhlar, D. G.%A Lybrand, T. P.%D 1990%T Supercomputer Chemistry - Structure, Dynamics, and Biochemical Applications%B Interdisciplinary Science Reviews%V 15%N 3%P 252-263%! Supercomputer Chemistry - Structure, Dynamics, and Biochemical Applications%O ArticleReprint: ALMLOF J

%0 Conference Proceedings%A Alverson, G.%A Briggs, P.%A Coatney, S.%A Kahan, S.%A Korry, P.%D 1997%T Tera Hardware-Software Cooperation%B Proceddings of Supercomputing 1997%C San Jose, CA%! Tera Hardware-Software Cooperation

%0 Magazine Article%A Alverson, R.%A Callahan, D.%A Cummings, D.%A Koblenz, B.%A Porterfield, A.%A Smith, B.%D 1990%T The Tera Computer System%C Amsterdam%! The Tera Computer System

%0 Journal Article%A Amos, A.T.%A Burrows, B.L.%D 1973%T Solvent-Shift Effects on Electronic Spectra and Excited State Dipole Moments and Polarizabilities%B Adv. Quantum Chem.%V 7%P 289%! Solvent-Shift Effects on Electronic Spectra and Excited State Dipole Moments and Polarizabilities

%0 Journal Article%A Amos, R. D.%D 1984%T Dipole moment derivatives of H2O and H2S%B Chem. Phys. Lett.%V 108%P 185-190%! Dipole moment derivatives of H2O and H2S%F Amo84

%0 Book Section%A Amos, R. D.%D 1986%T The calculation of dipole moment and polarizability derivatives with SCF wavefunctions%E Simons, P. Jrgensen and J.%B Geometrical derivatives of energy surfaces and molecular properties (NATO ASI Series)%C Dordrecht, Boston%I D. Reidel%P 135%! The calculation of dipole moment and polarizability derivatives with SCF wavefunctions%F Amo86

%0 Computer Program%A Amos, R.D.%D 1986%T CADPAC: The Cambridge Analytical Derivatives Package%C Cambridge%7 Issue 2.2%! CADPAC: The Cambridge Analytical Derivatives Package

%0 Journal Article%A Amos, R. D.%D 1987%T Molecular property derivatives%B Adv. Chem. Phys.%V 67%P 99-153%! Molecular property derivatives%F Amo87

%0 Journal Article%A Amos, R. D.%A Andrews, J. S.%A Handy, N. C.%A Knowles, P. J.%D 1991%T Open-shell Mller-Plesset perturbation theory%B Chem. Phys. Lett.%V 185%N 3,4%P 256-264%! Open-shell Mller-Plesset perturbation theory%F Amo91

%0 Journal Article%A Amos, Roger D.%A Gaw, J. F.%A Handy, N. C.%A Carter, S.%D 1988%T The accurate calculation of molecular properties by ab initio methods%B J. Chem. Soc. Faraday II%V 84%P 1247%! The accurate calculation of molecular properties by ab initio methods%F Amo88

%0 Computer Program%A Amos, R.D.%A Rice, J.E.%D 1995%T CADPAC%C Cambridge%I The Cambridge Analytical Derivatives Package%7 5.0%! CADPAC

%0 Journal Article%A Anderson, J. E.%A Ptashne, M.%A Harrison, S. C.%D 1984%T Cocrystals of the DNA-binding domain of phage 434 repressor and a synthetic phage 434 operator%B Proc. Natl. Acad. Sci. USA%V 81%P 1307-1311%! Cocrystals of the DNA-binding domain of phage 434 repressor and a synthetic phage 434 operator

%0 Journal Article%A Anderson, J. E.%A Ptashne, M.%A Harrison, S. C.%D 1985%T The structure of a phage repressor-operator complex at 7 A resolution%B Nature%V 319%P 596-601%! The structure of a phage repressor-operator complex at 7 A resolution

%0 Journal Article%A Andersson, K%A Malmqvist, P. A.%A Roos, B. O.%D 1992%T Second-order perturbation theory with a complete active space self-consistent field reference function%B J. Chem. Phys.%V 96%P 1218%! Second-order perturbation theory with a complete active space self-consistent field reference function%F And92

%0 Journal Article%A Andersson, K%A Malmqvist, P. A.%A Roos, B. O.%A Sadlej, A. J.%A Wolinski, K.%D 1990%T Second-order perturbation theory with a CASSCF reference function%B J. Phys. Chem.%V 93%P 5483-5488%! Second-order perturbation theory with a CASSCF reference function%F And90

%0 Journal Article%A Andreoni, W.%A Scharf, D.%A Giannozzi, P.%D 1990%T Low-temperature structures of C4 and C10 from the Car-Parrinello method: singlet states%B Chem. Phys. Lett.%V 173%N 5,6%P 449-455%! Low-temperature structures of C4 and C10 from the Car-Parrinello method: singlet states%F And90a

%0 Journal Article%A Andrews, J. S.%A Jayatilaka, D.%A Bone, R. G. A.%A Handy, N. C.%A Amos, R. D.%D 1991%T Spin contamination in single-determinant wavefunctions%B Chem. Phys. Lett.%V 183%N 3%P 423-431%! Spin contamination in single-determinant wavefunctions%F And91

%0 Journal Article%A Andrews, L.%A Burkholder, T. R.%D 1991%T Infrared spectra of boron atom-water molecule reaction products trapped in solid argon%B J. Phys. Chem.%V 95%P 8554-8560%! Infrared spectra of boron atom-water molecule reaction products trapped in solid argon%F And91a

%0 Journal Article%A Andrews, L.%A Hassanzadeh, P.%A Martin, J. M. L.%A Taylor, P. R.%D 1993%T Pulsed laser evaporation boron atom reactions with acetylene. Infrared spectra and quantum chemical structure and frequency calculations for several novel BC$_2$H$_2$ and HBC$_2$ molecules%B J. Phys. Chem.%V 97%P 5839%! Pulsed laser evaporation boron atom reactions with acetylene. Infrared spectra and quantum chemical structure and frequency calculations for several novel BC$_2$H$_2$ and HBC$_2$ molecules%F And93

%0 Journal Article%A Andzelm, J.%A Kolmel, C.%A Klamt, A.%D 1995%B J. Chem. Phys.%V 103%P 9312

%0 Journal Article%A Anglada, J.%A Bruna, P. J.%A Peyerimhoff, S. D.%A Buenker, R. J.%D 1983%T Low-lying electronic states of CSi- and electron affinity of CSi according to ab initio MRD-CI calculations%B J. Phys. B%V 16%P 2469%! Low-lying electronic states of CSi- and electron affinity of CSi according to ab initio MRD-CI calculations%F Ang83

%0 Journal Article%A Angyan, J.G.%D 1993%B Int. J. Quantum Chem.%V 27%P 469

%0 Journal Article%A Angyan, J.G.%D 1995%B Chem. Phys. Lett.%V 241%P 51

%0 Journal Article%A Annunziata, R.%A Ponzini, F.%A Raimondi, L.%B Magn. Res. Chem.%V in press

%0 Journal Article%A (anonymous)%D 1955%T Report on notation for the spectra of polyatomic molecules%B J. Chem. Phys.%V 23%P 1997-2011%! Report on notation for the spectra of polyatomic molecules%F unk55%O possible author: R. S. Mulliken

%0 Journal Article%A Antonovic, D.%A Shiner, V. J.%A Davidson, E. R.%D 1988%T Theoretical study of beta-lactone,acetoxyl diradical, and the gas-phase dissociation of the chloroacetate anion%B J. Am. Chem. Soc.%V 110%P 1375%! Theoretical study of beta-lactone,acetoxyl diradical, and the gas-phase dissociation of the chloroacetate anion%F Ant88

%0 Book Section%A Apeloig, Y.%D 1989%E Patai, S.%E Rappoport, Z.%B The Chemistry of Organic Silicon Compounds%C New York%I Wiley%P 1015

%0 Journal Article%A Apeloig, Y.%A Hrusak, J.%V unpublished results

%0 Book Section%A Apeloig, Y.%A Karni, M.%D 1998%T Theoretical Aspects and Quantum Mechanical Calculations of Silaaromatic Compounds%E Rappoport, Z.%E Apeloig, Y.%B The Chemistry of Organic Siilicon Compounds%C New York%I Wiley%V 2%! Theoretical Aspects and Quantum Mechanical Calculations of Silaaromatic Compounds

%0 Journal Article%A Archibald, T. W.%A Sabin, J. R.%D 1971%T Theoretical investigation of the electronic structure and properties of N3-, N3, and N3+%B J. Chem. Phys.%V 55%P 1821%! Theoretical investigation of the electronic structure and properties of N3-, N3, and N3+%F Arc71

%0 Journal Article%A Ardebeli, M. H. P.%A Dougherty, D. A.%A Mislow, K.%A Schwartz, L. H.%A White, J. G.%D 1978%T The Structure of 9,9'-Bitriptycyl%B J. Am. Chem. Soc.%V 100%P 7994-97%! The Structure of 9,9'-Bitriptycyl

%0 Book%A Arfken, G.%D 1985%T Mathematical Methods of Physics%C San Diego%I Academic Press%! Mathematical Methods of Physics%F Arf85

%0 Journal Article%A Argentine, S. M.%A Francis, A. H.%A Chen, C. C.%A Lieber, C. M.%A Siegel, J. S.%D 1994%T Unusual Photoluminescence Behavior Of C-70%B Journal Of Physical Chemistry%V 98%N 30%P 7350-7354%! Unusual Photoluminescence Behavior Of C-70%O ArticleReprint: FRANCIS AH

%0 Journal Article%A Arison, B. H.%A Hirschmann, R.%A Paleveda, W. J.%A Bray, S. F.%A Veber, D. F.%D 1981%T On the Low Energy Solution Conformation of Somatostatin%B Biochem. Biophys. Res. Comm.%V 100%P 1148-53%! On the Low Energy Solution Conformation of Somatostatin

%0 Journal Article%A Ariyoshi, M.%A Vassylyev, D. G.%A Iwasaki, H.%A Nakamura, H.%A Shinagawa, H. %A Morikawa, K.%D 1994%T Atomic structure of the RuvC resolvase: a Holiday junction-specific endonuclease from E. coli%B Cell%V 78%P 1063-1072%! Atomic structure of the RuvC resolvase: a Holiday junction-specific endonuclease from E. coli

%0 Journal Article%A Armstrong, R. W.%A Combs, A. P.%A Tempest, P. A.%A Brown, S. D.%A Keating, T. A.%D 1996%T Multiple-Component Condensation Strategies for Combinatorial Library Synthesis%B Acc. Chem. Res.%V 29%P 123-31%! Multiple-Component Condensation Strategies for Combinatorial Library Synthesis

%0 Journal Article%A Arnau, A.%A Tunon, I.%A Andres, J.%A Silla, E.%D 1990%T Theoretical rotational constants of MeCnN species%B Chem. Phys. Lett.%V 166%N 1%P 54-56%! Theoretical rotational constants of MeCnN species%F Arn90

%0 Journal Article%A Arnold, D. W.%A Bradforth, S. E.%A Kitsopoulos, T. N.%A Neumark, D. M.%D 1991%T Vibrationally resolved spectra of C2-C11 by anion photoelectron spectroscopy%B J. Chem. Phys.%V xx%P yyy%! Vibrationally resolved spectra of C2-C11 by anion photoelectron spectroscopy%F Arn91

%0 Journal Article%A Arrhenius, G.%A Baldridge, K.K.%A Richards-Gross, S.%A Siegel, J.S.%D 1997%T Glycolonitrile Oligomerization Structure of Isolated Oxazolines, Potential Heterocycles on the Early Earth%B J. Org. Chem.%V 62%P 5522%! Glycolonitrile Oligomerization Structure of Isolated Oxazolines, Potential Heterocycles on the Early Earth

%0 Journal Article%A Artymiuk, P. J.%A Grindley, H. M.%A Kumar, K.%A Rice, D. W.%A Willett, P.%D 1993%T Three-dimensional structural resemblance between the ribonuclease H and connection domains of HIV reverse transcriptase and the ATPase fold revealed using graph theoretical techniques%B FEBS Lett.%V 324%P 15-21%! Three-dimensional structural resemblance between the ribonuclease H and connection domains of HIV reverse transcriptase and the ATPase fold revealed using graph theoretical techniques

%0 Journal Article%A Arunan, E.%D 1997%T The C-C Bond is Stronger than the C-Cl Bond in Ch3COCl%B J. Phys. Chem. A%V 101%P 4838-4839%! The C-C Bond is Stronger than the C-Cl Bond in Ch3COCl

%0 Book Section%A Aschmann, S.M.%A Atkinson, R.%D 1999%T Products of the Gas-Phase Reactions of the OH Radical with n-Butyl Methyl Ether and 2-Isopropoxyethanol: Reactions of ROC(O) FH + H barrier%F Bau89a

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Partridge, H.%D 1990%T Theoretical study of the homonuclear tetramers and pentamers of the group IB metals (Cu, Ag, and Au)%B J. Chem. Phys.%V 93%N 11%P 8133-8137%! Theoretical study of the homonuclear tetramers and pentamers of the group IB metals (Cu, Ag, and Au)%F Bau90d

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Partridge, H.%A Barnes, L. A.%D 1989%T Theoretical studies of the first- and second-row transition metal-methyls and their positive ions%B J. Chem. Phys.%V 91%P 2399%! Theoretical studies of the first- and second-row transition metal-methyls and their positive ions%F Bau89g

%0 Book Section%A Bauschlicher, C. W.%A Langhoff, S. R.%A Partridge, H.%A Halicioglu, T.%A Taylor, P. R.%D 1987%T Theoretical approaches to metal chemistry%E Jensen, K. F.%E Truhlar, D. G.%B Supercomputer research in chemistry and chemical engineering (ACS Symposium series 353)%C Washington%I American Chemical Society%! Theoretical approaches to metal chemistry%F Bau87j

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Partridge, H.%A Taylor, P. R.%D 1986%T On the electron affinity of the oxygen atom%B J. Chem. Phys.%V 85%P 3407%! On the electron affinity of the oxygen atom%F Bau86b

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1987%T On the ${}^1A_1 - {}^3B_1$ separation in CH$_2$ and SiH$_2$%B J. Chem. Phys.%V 87%P 387%! On the ${}^1A_1 - {}^3B_1$ separation in CH$_2$ and SiH$_2$%F Bau87i

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1988%T Theoretical study of the dissociation energy and the red and violet band systems of CN%B Astrophys. J.%V 332%P 531-588%! Theoretical study of the dissociation energy and the red and violet band systems of CN%F Bau88

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1988%T Theoretical studies of the electron affinities of Cu, Cu$_2$, and Cu$_3$%B J. Chem. Phys.%V 88%P 1041%! Theoretical studies of the electron affinities of Cu, Cu$_2$, and Cu$_3$%F Bau88c

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1988%T Core-core and core-valence correlation%B J. Chem. Phys.%V 88%P 2540%! Core-core and core-valence correlation%F Bau88e

%0 Book Section%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1989%T Recent developments in the calculation of {\em ab initio\/} potential energy surfaces%E Lagan, A.%B Supercomputer algorithms for reactivity, dynamics and kinetics of small molecules (NATO ASI series)%C Dordrecht%I Kluwer%! Recent developments in the calculation of {\em ab initio\/} potential energy surfaces%F Bau89

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1989%T On the electron affinities of the Ca, Sc, Ti and Y atoms%B Chem. Phys. Lett.%V 158%P 245%! On the electron affinities of the Ca, Sc, Ti and Y atoms%F Bau89f

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1990%T On the dissociation energy of BH%B J. Chem. Phys.%V 93%N 1%P 502-506%! On the dissociation energy of BH%F Bau90

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1990%T Theoretical study of the C-H bond dissociation energy of acetylene%B Chem. Phys. Lett.%V 171%N 1,2%P 42%! Theoretical study of the C-H bond dissociation energy of acetylene%F Bau90a

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%D 1990%T Accurate quantum chemical calculations%B Adv. Chem. Phys.%V 77%P 103-161%! Accurate quantum chemical calculations%F Bau90b

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%A Handy, N. C.%A Knowles, P. J.%D 1986%T Benchmark full CI calculations on HF and NH$_2$%B J. Chem. Phys.%V 85%P 1469%! Benchmark full CI calculations on HF and NH$_2$%F Bau86a

%0 Journal Article%A Bauschlicher, C. W.%A Langhoff, S. R.%A Taylor, P. R.%A Partridge, H.%D 1986%T A full CI treatment of Ne atom --- a benchmark calculation performed on the NAS CRAY-2%B Chem. Phys. Lett.%V 126%P 436%! A full CI treatment of Ne atom --- a benchmark calculation performed on the NAS CRAY-2%F Bau86

%0 Journal Article%A Bauschlicher, C. W.%A Partridge, H.%D 1987%T Strategies for vectorizing the sparse matrix vector product on the CRAY XMP,CRAY 2,and CYBER 205%B J. Comp. Chem.%V 8%P 636%! Strategies for vectorizing the sparse matrix vector product on the CRAY XMP,CRAY 2,and CYBER 205%F Bau87

%0 Journal Article%A Bauschlicher, C. W.%A Partridge, H.%A Ceperley, D.%D 1989%T The dissociation energy of He2+%B Chem. Phys. Lett.%V 160%P 183%! The dissociation energy of He2+%F Bau89c

%0 Journal Article%A Bauschlicher, C. W.%A Partridge, H.%A Langhoff, S. R.%A Taylor, P. R.%A Walch, S. P.%D 1987%T Accurate {\em ab initio\/} calculations which demonstrate a ${}^3\Pi_u$ ground state for Al$_2$%B J. Chem. Phys.%V 86%P 7007%! Accurate {\em ab initio\/} calculations which demonstrate a ${}^3\Pi_u$ ground state for Al$_2$%F Bau87h

%0 Journal Article%A Bauschlicher, C. W.%A Rosi, M.%D 1989%T On the bonding in (Be2)2+%B Chem. Phys. Lett.%V 159%P 485%! On the bonding in (Be2)2+%F Bau89d

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1986%T Benchmark full CI calculations on H$_2$O, F, and F$^-$%B J. Chem. Phys.%V 85%P 2779%! Benchmark full CI calculations on H$_2$O, F, and F$^-$%F Bau86c

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1986%T A full CI treatment of the ${}^1A_1 - {}^3B_1$ separation in methylene%B J. Chem. Phys.%V 85%P 6510%! A full CI treatment of the ${}^1A_1 - {}^3B_1$ separation in methylene%F Bau86d

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1987%T Full CI benchmark calculations of molecular properties%B Theor. Chim. Acta%V 71%P 263%! Full CI benchmark calculations of molecular properties%F Bau87b

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1987%T A full CI treatment of the ${}^1A_1$, ${}^3B_1$ and ${}^1B_1$ states of SiH$_2$%B J. Chem. Phys.%V 86%P 1420%! A full CI treatment of the ${}^1A_1$, ${}^3B_1$ and ${}^1B_1$ states of SiH$_2$%F Bau87c

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1987%T Full CI studies of the collinear transition state for the reaction F + H$_2$ $\rightarrow$ HF + H%B J. Chem. Phys.%V 86%P 858%! Full CI studies of the collinear transition state for the reaction F + H$_2$ $\rightarrow$ HF + H%F Bau87d

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1987%T Full CI benchmark calculations for several states of the same symmetry%B J. Chem. Phys.%V 86%P 2844%! Full CI benchmark calculations for several states of the same symmetry%F Bau87f

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1987%T Full CI benchmark calculations on CH$_3$%B J. Chem. Phys.%V 86%P 5600%! Full CI benchmark calculations on CH$_3$%F Bau87g

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1988%T Symmetry and equivalence restrictions in electronic structure calculations%B Theoret. Chim. Acta%V 74%P 63%! Symmetry and equivalence restrictions in electronic structure calculations%F Bau88a

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1988%T Comment on `New theoretical description of the carbon-carbon triple bond'%B Phys. Rev. Lett.%V 60%P 859%! Comment on `New theoretical description of the carbon-carbon triple bond'%F Bau88b

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%D 1993%T Atomic natural orbital basis sets for transition metals%B Theoret. Chim. Acta.%V 86%P 13%! Atomic natural orbital basis sets for transition metals%F Bau93

%0 Journal Article%A Bauschlicher, C. W.%A Taylor, P. R.%A Komornicki, A.%D 1990%T The vibrational frequencies of TiF$_n$Cl$_{4-n}$, ($n$ = 0--4)%B J. Chem. Phys.%V 92%P 3928%! The vibrational frequencies of TiF$_n$Cl$_{4-n}$, ($n$ = 0--4)%F Bau90e

%0 Journal Article%A Bauschlicher, C. W.%A Walch, S. P.%A Langhoff, S. R.%A Taylor, P. R.%A Jaffe, R. L.%D 1988%T Theoretical studies of the potential surface for the F + H$_2$ $\rightarrow$ HF + H reaction%B J. Chem. Phys.%V 88%P 1743%! Theoretical studies of the potential surface for the F + H$_2$ $\rightarrow$ HF + H reaction%F Bau88d

%0 Journal Article%A Bayley, H.%A Standring, D.N.%A Knowles, J.R.%D 1978%B Tetrahedron Lett.%V 39%P 3633

%0 Journal Article%A Beamer, L. J.%A Pabo, C. O.%D 1992%T Refined 1.8A Crystal Structure of the Lambda Repressor-Operator Complex%B J. Mol. Biol.%V 227%P 177-196%! Refined 1.8A Crystal Structure of the Lambda Repressor-Operator Complex

%0 Journal Article%A Bearpark, M. J.%A Handy, N. C.%A Amos, R. D.%A Maslen, P. E.%D 1991%T Some investigations of the MP2-R12 method%B Theoret. Chim. Acta%V 79%P 361%! Some investigations of the MP2-R12 method%F Bea91

%0 Journal Article%A Beattie, J. K.%A Hush, N. S.%A Taylor, P. R.%D 1976%T Electron delocalization in the mixed-valence $\mu$-pyrazine-decaammine-diruthenium (5+) ion%B Inorg. Chem.%V 15%P 992%! Electron delocalization in the mixed-valence $\mu$-pyrazine-decaammine-diruthenium (5+) ion%F Bea76

%0 Journal Article%A Beattie, J. K.%A Hush, N. S.%A Taylor, P. R.%A Raston, C. L.%A White, A. H.%D 1977%T Crystal structure of $\mu$-pyrazine-decaammine-diruthenium penta(bromide, chloride)-water(1/4)%B J. Chem. Soc. (Dalton)%V 1977%P 1121%! Crystal structure of $\mu$-pyrazine-decaammine-diruthenium penta(bromide, chloride)-water(1/4)%F Bea77

%0 Journal Article%A Beaudry, A. A.%A Joyce, G. F.%D 1992%T Directed Evolution of an RNA Enzyme%B Science%V 257%P 635-641%! Directed Evolution of an RNA Enzyme

%0 Journal Article%A Beauvais, R. A.%A Alexandratos, S. D.%D 1998%T Polymer-supported reagents for the selective complexation of metal ions: an overview%B Reactive & Functional Polymers%V 36%N 2%P 113-123%! Polymer-supported reagents for the selective complexation of metal ions: an overview%O ARTICLE - ReviewReprint: Alexandratos, SD

%0 Journal Article%A Becke, A. D.%D 1982%T Numerical Hartree-Fock-Slater calculations on diatomic molecules%B J. Chem. Phys.%V 76%P 6037%! Numerical Hartree-Fock-Slater calculations on diatomic molecules%F Bec82

%0 Journal Article%A Becke, A.D.%D 1983%T Hartree-Fock Exchange Energy of an Inhomogeneous Electron Gas%B Int. J. Quantum Chem.%V 23%P 1915-1922%! Hartree-Fock Exchange Energy of an Inhomogeneous Electron Gas

%0 Journal Article%A Becke, A. D.%D 1988%T Correlation Energy of an Inhomogeneous Electron Gas: A Coordinate-Space Model%B J. Chem. Phys.%V 88%P 1053%! Correlation Energy of an Inhomogeneous Electron Gas: A Coordinate-Space Model

%0 Journal Article%A Becke, A. D.%D 1988%B Phys. Rev.%V A38%P 3098

%0 Journal Article%A Becke, A. D.%D 1993%T Density-Functional Thermochemistry. III. The Role of Exact Exchange%B J. Chem. Phys.%V 98%P 5648-5652%! Density-Functional Thermochemistry. III. The Role of Exact Exchange

%0 Journal Article%A Beckel, C. L.%D 1976%T Power-series expansions of vibrational potentials. V. Radii of convergence for non-Dunham series%B J. Chem. Phys.%V 65%N 10%P 4319-4320%! Power-series expansions of vibrational potentials. V. Radii of convergence for non-Dunham series%F Bec76

%0 Journal Article%A Becker, H.%A Javahery, G.%A Petrie, S.%A Cheng, P. C.%A Schwarz, H.%A Scott, L. T.%A Bohme, D. K.%D 1993%T Gas-Phase Ion Molecule Reactions Of Corannulene, a Fullerene Subunit%B Journal Of the American Chemical Society%V 115%N 24%P 11636-11637%! Gas-Phase Ion Molecule Reactions Of Corannulene, a Fullerene Subunit%O ARTICLE - NoteReprint: BOHME DK

%0 Journal Article%A Becker, S.%A Dietze, H. J.%D 1986%T Clusterionenbildung von Bornitrid in Laserplasmen%B Int. J. Mass Spectr. Ion Processes%V 73%P 157%! Clusterionenbildung von Bornitrid in Laserplasmen%F Bec86

%0 Journal Article%A Becker, S.%A Dietze, H. J.%D 1988%T Cluster ions in the laser mass spectra of boron carbide%B Int. J. Mass Spectr. Ion Proc.%V 82%P 287%! Cluster ions in the laser mass spectra of boron carbide%F Bec88

%0 Journal Article%A Becker, S.%A Dietze, H. J.%A Pompe, W.%D 1986%T Untersuchungen zur Cn+ Clusterionenbildung in Hochtemperaturplasmen%B Z. Chem.%V 26%P 453%! Untersuchungen zur Cn+ Clusterionenbildung in Hochtemperaturplasmen%F Bec86

%0 Journal Article%A Beese, L. S.%A Steitz, T. A.%D 1991%T Structural basis for the 3'-5' exonuclease activity of Eschericia coli DNA polymerase I: a two metal ion mechanism%B EMBO J.%V 10%P 25-33%! Structural basis for the 3'-5' exonuclease activity of Eschericia coli DNA polymerase I: a two metal ion mechanism

%0 Journal Article%A Bejar, S.%A Bouche, F.%A Bouche, J.-P.%D 1988%T Cell division inhibition gene dicB is regulated by a locus similar to lambdoud bacteriophage immunity loci%B Mol. Gen. Genet.%V 212%P 11-19%! Cell division inhibition gene dicB is regulated by a locus similar to lambdoud bacteriophage immunity loci

%0 Journal Article%A Bell, S.%A Crighton, J. S.%D 1984%T Locating transition states%B J. Chem. Phys.%V 80%P 2464-2475%! Locating transition states%F Bel84

%0 Journal Article%A Bell, S.%A Crighton, J. S.%A Fletcher, R.%D 1981%T A new efficient method for locating saddle points%B Chem. Phys. Lett.%V 82%P 122%! A new efficient method for locating saddle points%F Bel81

%0 Journal Article%A Bell, T.W.%A Hou, Z.%A Luo, Y.%A Drew, M.G.B.%A Chapoteau, E.%A Czech, B.P.%A Kumar, A.%D 1995%B Science%V 269%P 671

%0 Journal Article%A Belt, P. B. G. M.%A Groeneveld, H.%A Teubel, W. J.%A van de Putte, P.%A Backendorf, C.%D 1989%T Construction and properties of an Epstein-Barr-virus-derived cDNA expression vector for human cells%B Gene%V 84%P 407-417%! Construction and properties of an Epstein-Barr-virus-derived cDNA expression vector for human cells

%0 Journal Article%A Bnard, M.%A Paldus, J.%D 1980%T Stability of Hartree-Fock solutions and symmetry breaking in the independent particle model: ab initio case study of the LCAO-MO-SCF solutions for finite chains of hydrogen atoms%B J. Chem. Phys.%V 72%P 6546%! Stability of Hartree-Fock solutions and symmetry breaking in the independent particle model: ab initio case study of the LCAO-MO-SCF solutions for finite chains of hydrogen atoms%F Ben80

%0 Journal Article%A Benassi, R.%A Folli, U.%A Iarossi, D.%A Schenetti, I.%A Taddei, F.%D 1988%B J. Chem. Soc., Perkin Trans.2%P 1495

%0 Journal Article%A Benassi, R.%A Folli, U.%A Mucci, A.%A Schenetti, L.%A Taddei, F.%D 1987%T Long-Range C-N Spin-Spin Coupling Constants in the Conformational Analysis of Formyl Derivatives of Furan and Thiophene%B Magn. Reson. Chem.%V 25%P 804-810%! Long-Range C-N Spin-Spin Coupling Constants in the Conformational Analysis of Formyl Derivatives of Furan and Thiophene

%0 Journal Article%A Benassi, R.%A Folli, U.%A Schenetti, L.%A Taddei, F.%D 1987%T Conformational Analysis of Organic Carbonyl Compounds. Part 6. Theoretical Examination of the Conformational Properties (Ground and Transition State) and Solvent Effects on 2-Formyl-Furan, -thiophene, and -pyridine%B J. Chem. Soc., Perkin Trans. 2%P 961-968%! Conformational Analysis of Organic Carbonyl Compounds. Part 6. Theoretical Examination of the Conformational Properties (Ground and Transition State) and Solvent Effects on 2-Formyl-Furan, -thiophene, and -pyridine

%0 Journal Article%A Benassi, R.%A Folli, U.%A Schenetti, L.%A Taddei, F.%D 1987%B Adv. Heterocycl. Chem.%V 41%P 75

%0 Journal Article%A Benassi, R.%A Folli, U.%A Schenetti, L.%A Taddei, F.%D 1988%T Conformational Analysis of Organic Carbonyl Compounds. Part 10: Ab initio MO Calculations of the Conformational Properties of 3-Formyl-furan, thiophene, and pyrrole.%B J. Chem. Soc., Perkin Trans. 2%P 1501-1507%! Conformational Analysis of Organic Carbonyl Compounds. Part 10: Ab initio MO Calculations of the Conformational Properties of 3-Formyl-furan, thiophene, and pyrrole.

%0 Journal Article%A Benassi, R.%A Folli, U.%A Schenetti, L.%A Taddei, F.%D 1997%B Adv. Heterocycl. Chem.%V 41%P 75-186

%0 Journal Article%A Benedict, W. S.%A Gailar, N.%A Plyler, E. K.%D 1956%T Rotation-vibration spectra of deuterated water vapor%B J. Chem. Phys.%V 24%N 6%P 1139-1165%! Rotation-vibration spectra of deuterated water vapor%F Ben56

%0 Journal Article%A Benioff, P. A.%D 1978%T Ab initio calculations of the vertical electronic spectra of NO2,NO2+,and NO2-%B J. Chem. Phys.%V 68%P 3405%! Ab initio calculations of the vertical electronic spectra of NO2,NO2+,and NO2-%F Ben78

%0 Journal Article%A Benjamin, H. W.%A Kleckner, N.%D 1989%B Cell%V 59%P 373-383

%0 Journal Article%A Ben-Naim, A.%A Marcus, Y.%D 1984%T Solvation Thermodynamics of Nonionic Solutes%B J. Chem. Phys.%V 81%P 2016%! Solvation Thermodynamics of Nonionic Solutes

%0 Journal Article%A Bentley, T.W.%A Norman, S.J.%A Gerstner, E.%A Kemmer, R.%A Christl, M.%D 1993%B Chem. Ber.%V 126%P 1749

%0 Book%A Bently, K. W.%D 1960%T The Natural Pigments%E Bently, K. W.%B The Chemistry of Natural Products%C New York%I Interscience%V 4%P 306%! The Natural Pigments

%0 Journal Article%A Benzing, T.%A Tjivikua, T.%A Wolfe, J.%A Rebek, J., Jr.%D 1988%T Recognition and Transport of Adenine Derivatives with Synthetic Receptors%B Science%V 242%P 266%! Recognition and Transport of Adenine Derivatives with Synthetic Receptors

%0 Journal Article%A Beral, V.%A Peterman, T.%A Berkelman, R.%A Jaffe, H.%D 1991%T AIDS-associated non-Hodgkin lymphoma%B Lancet%V 337%P 805-809%! AIDS-associated non-Hodgkin lymphoma

%0 Journal Article%A Beratan, D.N.%A Onuchic, J.J.%A Winkler, J.R.%A Gray, H.B.%D 1992%B Science%V 258%P 1740

%0 Book%A Berg, D. E.%A Howe, M. M.%D 1989%T Mobile DNA%C Washington, D.C.%I American Society of Microbiology Publications%! Mobile DNA

%0 Book Section%A Berg, J. M.%D 1990%T Zinc Finger Domains: Hypothesis and Current Knowledge%B Ann. Rev. Biophys. Biophys. Chem.%I Annual Reviews Inc.%6 19%P 405-421%! Zinc Finger Domains: Hypothesis and Current Knowledge

%0 Journal Article%A Berg, O. G.%A Winter, R. B.%A von Hippel, P. H.%D 1981%T Diffusion-Driven Mechanisms fo Protein Translocation on Nucleic Acids: 1. Models and Theory%B Biochemistry%V 20%P 6929-6948%! Diffusion-Driven Mechanisms fo Protein Translocation on Nucleic Acids: 1. Models and Theory

%0 Journal Article%A Berglund, J.%A Lindbladh, C.%A Nicholls, I. A.%A Mosbach, K.%D 1998%T Selection of phage display combinatorial library peptides with affinity for a yohimbine imprinted methacrylate polymer%B Analytical Communications%V 35%N 1%P 3-7%! Selection of phage display combinatorial library peptides with affinity for a yohimbine imprinted methacrylate polymer%O ArticleReprint: Berglund, J

%0 Journal Article%A Berk, A. J.%A Sharp, P. A.%D 1977%T Sizing and Mapping of Early Adenovirus mRNAs by Gel Electrophoresis of S1 Endonuclease Digested Hybrids%B Cell%V 12%P 721-732%! Sizing and Mapping of Early Adenovirus mRNAs by Gel Electrophoresis of S1 Endonuclease Digested Hybrids

%0 Journal Article%A Bernardi, F.%A Bottoni, A.%A Olivucci, M.%A Robb, M. A.%A Schlegel, H. B.%A Tonachini, G.%D 1988%T Do supra-antara paths really exist for 2+2 cycloaddition reactions? Analytic computation of the MC-SCF Hessians for transition states of C2H4 with C2H4, singlet O2, and ketene%B J. Am. Chem. Soc.%V 110%P 5993%! Do supra-antara paths really exist for 2+2 cycloaddition reactions? Analytic computation of the MC-SCF Hessians for transition states of C2H4 with C2H4, singlet O2, and ketene%F Ber88

%0 Journal Article%A Bernath, P. F.%D 1990%T High resolution infrared spectroscopy of transient molecules%B Ann. Rev. Phys. Chem.%V 41%P 91-122%! High resolution infrared spectroscopy of transient molecules%F Ber90

%0 Journal Article%A Bernath, P. F.%A Hinkle, K. H.%A Keady, J. J.%D 1989%T Detection of C5 in the circumstellar shell of IRC+10216%B Science%V 244%P 562-564%! Detection of C5 in the circumstellar shell of IRC+10216%F Ber89

%0 Journal Article%A Bernath, P. F.%A Rogers, S. A.%A O'Brien, L. C.%A Brazier, C. R.%A McLean, A. D.%D 1988%T Theoretical prediction and experimental detection of the SiC molecule%B Phys. Rev. Lett.%V 60%P 197%! Theoretical prediction and experimental detection of the SiC molecule%F Ber88

%0 Journal Article%A Bernholc, J.%A Phillips, J. C.%D 1986%T Kinetics of aggregation of carbon clusters%B Phys. Rev. B%V 33%P 7395%! Kinetics of aggregation of carbon clusters%F Ber86

%0 Journal Article%A Bernholc, J.%A Phillips, J. C.%D 1986%T Kinetics of cluster formation in the laser vaporization source: carbon clusters%B J. Chem. Phys.%V 85%P 3258-3267%! Kinetics of cluster formation in the laser vaporization source: carbon clusters%F Ber86

%0 Journal Article%A Bernholdt, D. E.%A Magers, D. H.%A Bartlett, R. J.%D 1988%T Stability and properties of C4 isomers%B J. Chem. Phys.%V 89%P 3612%! Stability and properties of C4 isomers%F Ber88

%0 Journal Article%A Bertin, D.M.%A Farnier, M.%A Liegeois, C.%D 1974%B Bull. Chim. Soc. Fr.%P 2677

%0 Journal Article%A Bertran, J.F.%A Ortiz, E.%A Ballester, L.%D 1973%B J. Mol. Strut.%V 17%P 161

%0 Journal Article%A Bertran, J.F.%A Rodriquez, M.%D 1974%T Study of the Intrinsic and Conformational Solvent Effects on the Chemical Shift of the Aldehydic Proton in Furfural and Thiophenaldehyde%B Org. Magn. Reson.%V 6%P 525-527%! Study of the Intrinsic and Conformational Solvent Effects on the Chemical Shift of the Aldehydic Proton in Furfural and Thiophenaldehyde

%0 Journal Article%A Besler, B.H.%A Merz, K.M., Jr.%A Kollman, P.A.%D 1990%B J. Comp. Chem.%V 11%P 431

%0 Journal Article%A Besler, B. H.%A Scuseria, G. E.%A Scheiner, A. C.%A Schaefer III, H. F.%D 1988%T A systematic theoretical study of harmonic vibrational frequencies: the single and double exciatition coupled cluster (CCSD) method%B J. Chem. Phys.%V 89%P 360%! A systematic theoretical study of harmonic vibrational frequencies: the single and double exciatition coupled cluster (CCSD) method%F Bes88

%0 Journal Article%A Bethune, D. S.%A Meijer, G.%A Tang, W. C.%A Rosen, H. J.%D 1990%T The vibrational Raman spectra of purified solid films of C60 and C70%B Chem. Phys. Lett.%V 174%N 3,4%P 219-222%! The vibrational Raman spectra of purified solid films of C60 and C70%F Bet90

%0 Journal Article%A Bettinger, H. F.%A Schleyer, P. v. R.%A Schaefer, H. F., III%D 1998%T "Long bond"%B J. Chem. Soc.,Chem. Commun.%P 769%! "Long bond"

%0 Journal Article%A Bhanuprakash, K.%A Buenker, R. J.%D 1988%T Ab initio calculations of the electronic transition moments and radiative lifetimes in some BN band systems%B Chem. Phys. Lett.%V 152%P 215%! Ab initio calculations of the electronic transition moments and radiative lifetimes in some BN band systems%F Bha88

%0 Journal Article%A Bicerano, J.%A Keem, J. E.%A Schlegel, H. B.%D 1986%T Theoretical studies of hydrogen storage in binary Ti-Ni,Ti-Cu, and Ti-Fe alloys%B Theor. Chim. Acta%V 70%P 265%! Theoretical studies of hydrogen storage in binary Ti-Ni,Ti-Cu, and Ti-Fe alloys%F Bic86

%0 Journal Article%A Bilde, M. %A Mogelberg, T.E.%A Sehested, J.%A Nielsen, O.J.%A Wallington, T.J.%A Hurley, M.D.%A Japar, S.M.%A Dill, M.%A Orkin, V.L.%A Buckley, T.J.%A Huie, R.E.%A Kurylo, M.J.%D 1997%T Atmospheric Chemistry of Dimethyl Carbonate: Reactin with OH Radicals, UV Spectra of CH3OC(O)OCH2 and CH3OC(O)OCH2O2 Radicals, Reactions of CH3OC(O)OCH2O2 with NO and NO2 and Fate of CH3OC(O)OCH2O Radicals%B J. Phys. Chem. A%V 101%P 3514-3525%! Atmospheric Chemistry of Dimethyl Carbonate: Reactin with OH Radicals, UV Spectra of CH3OC(O)OCH2 and CH3OC(O)OCH2O2 Radicals, Reactions of CH3OC(O)OCH2O2 with NO and NO2 and Fate of CH3OC(O)OCH2O Radicals

%0 Journal Article%A Billich, A.%A Schauer, M.%A Frank, S.%A Rosenwirth, B.%A Billich, S.%D 1992%T HIV-1 integrase: high-level production and screening assay for the endonucleolytic activity%B Antiviral Chem. Chemother.%V 3%P 113-119%! HIV-1 integrase: high-level production and screening assay for the endonucleolytic activity

%0 Journal Article%A Bingham, R. C.%A Dewar, M. J. S.%A Lo, D. H.%D 1975%T MINDO/3.An improved version of the MINDO semiempirical SCF-MO method%B J. Am. Chem. Soc.%V 97%P 1285%! MINDO/3.An improved version of the MINDO semiempirical SCF-MO method%F Bin75

%0 Journal Article%A Bingham, R. C.%A Dewar, M. J. S.%A Lo, D. H.%D 1975%T MINDO/3 calculations for hydrocarbons%B J. Am. Chem. Soc.%V 97%P 1294%! MINDO/3 calculations for hydrocarbons%F Bin75

%0 Journal Article%A Bingham, R. C.%A Dewar, M. J. S.%A Lo, D. H.%D 1975%T MINDO/3 calculations for CHON species%B J. Am. Chem. Soc.%V 97%P 1302%! MINDO/3 calculations for CHON species%F Bin75

%0 Journal Article%A Bingham, R. C.%A Dewar, M. J. S.%A Lo, D. H.%D 1975%T MINDO/3 calculations for compounds containing carbon,hydrogen,fluorine,and chlorine%B J. Am. Chem. Soc.%V 97%P 1307%! MINDO/3 calculations for compounds containing carbon,hydrogen,fluorine,and chlorine%F Bin75

%0 Journal Article%A Bingham, R.C.%A Dewar, M.J.S.%A Lo, D.H.%D 1975%B J. Am. Chem. Soc.%V 97%P 1285

%0 Journal Article%A Binkley, J. S.%A Frisch, M. J.%D 1983%T Ab initio determination of bond dissociation energies: the first-row diatomics CO,N2,NO,O2, and F2%B Int. J. Quantum Chem. Symp.%V 17%P 331%! Ab initio determination of bond dissociation energies: the first-row diatomics CO,N2,NO,O2, and F2%F Bin83

%0 Journal Article%A Binkley, J. S.%A Pople, J. A.%D 1975%T Mller-Plesset theory for atomic ground state energies%B Int. J. Quantum Chem.%V 9%P 229%! Mller-Plesset theory for atomic ground state energies%F Bin75

%0 Journal Article%A Binkley, J. S.%A Pople, J. A.%D 1977%T Split-valence Gaussian-type basis sets for beryllium%B J. Chem. Phys.%V 66%P 879%! Split-valence Gaussian-type basis sets for beryllium%F Bin77

%0 Journal Article%A Binkley, J. S.%A Pople, J. A.%A Dobosh, P. A.%D 1974%T The calculation of spin-restricted single-determinant wavefunctions%B Mol. Phys.%V 28%P 1423%! The calculation of spin-restricted single-determinant wavefunctions%F Bin74

%0 Journal Article%A Binkley, J. S.%A Pople, J. A.%A Hehre, W. J.%D 1980%T Small split-valence basis sets for first-row elements%B J. Am. Chem. Soc.%V 102%P 939-947%! Small split-valence basis sets for first-row elements%F Bin80

%0 Journal Article%A Binning, R. C., Jr.%A Curtiss, L. A.%D 1990%T Compact Contracted Basis Sets for Third-Row Atoms: Ga-Kr%B J. Comp. Chem.%V 11%P 1206-1216%! Compact Contracted Basis Sets for Third-Row Atoms: Ga-Kr

%0 Journal Article%A Bird, A.%A Taggart, M.%A Frommer, M.%A Miller, O. J.%A Macleod, D.%D 1985%T A fraction of the mouse genome that is derived fom islands of nonmethylated, CpG-rich DNA%B Cell%P 91-99%! A fraction of the mouse genome that is derived fom islands of nonmethylated, CpG-rich DNA

%0 Journal Article%A Bird, C.W.%D 1985%B Tetrahedron%V 41%P 1409-14

%0 Journal Article%A Bird, C.W.%D 1986%B Tetrahedron%V 42%P 89-92

%0 Journal Article%A Bird, C.W.%D 1987%B Tetrahedron%V 43%P 4725-30

%0 Journal Article%A Bird, C.W.%D 1992%B Tetrahedron%V 48%P 335-40

%0 Journal Article%A Birnstock, F.%A Hofman, H.J.%A Kohler, H.%D 1997%B Theor. Chim. Acta (Berlin)%V 42%P 311-323

%0 Journal Article%A Birnstock, F.%A Hofmann, H.-F.%A Kohler, H.-J.%D 1976%B Theor. Chim. Acta.%V 42%P 311

%0 Journal Article%A Bischof, J.A.%A Hashmall, E.%A Heilbronner, E.%A Hornung, V.%D 1969%B Tetrahedron Lett.%V 46%P 4025

%0 Journal Article%A Bischof, P.%A Bosse, D.%A Gleiter, R.%A Kukla, M.%A De Meijere, A.%A Paquette, L. A.%D 1975%T Zur Frage der Homokonjugation in Triquinacen und 2a,4a,8a,8b-Tetrahydrocyclopent[cd]azulen. Photoelektronenspektroskopische Untersuchungen%B Chem. Ber.%V 108%P 1218%! Zur Frage der Homokonjugation in Triquinacen und 2a,4a,8a,8b-Tetrahydrocyclopent[cd]azulen. Photoelektronenspektroskopische Untersuchungen

%0 Journal Article%A Bischof, P. K.%A Dewar, M. J. S.%D 1975%T MINDO/3 study of some simple carbocations%B J. Am. Chem. Soc.%V 97%P 2278%! MINDO/3 study of some simple carbocations%F Bis75

%0 Book%A Bishop, D. M.%D 1973%T Group theory and chemistry%C Oxford%I Clarendon Press%! Group theory and chemistry%F Bis73

%0 Journal Article%A Bishop, D.M.%A Cybulski, S.M.%D 1993%T Electron-Correlated Calculations of the Nuclear Shielding Constants and Shielding Polarizabilities for H2, N2, HF and CO%B J. Mol. Phys.%V 80%P 209%! Electron-Correlated Calculations of the Nuclear Shielding Constants and Shielding Polarizabilities for H2, N2, HF and CO

%0 Journal Article%A Bishop, D. M.%A Schneider, B. E.%D 1975%T A new integral transform basis function%B Int. J. Quantum Chem.%V 9%P 67%! A new integral transform basis function%F Bis75

%0 Journal Article%A Bishop, R.F.%A Kmmel, H. G.%D 1987%T The coupled-cluster method%B Physics Today%V 1987-3%N March 1987%P 52%! The coupled-cluster method%F Bis87

%0 Journal Article%A Bisson, A. P.%A Lynch, V. M.%A Monahan, M. K. C.%A Anslyn, E. V.%D 1997%T Recognition of anions through NH-pi hydrogen bonds in a bicyclic cyclophane-selectivity for nitrate%B Angewandte Chemie-International Edition In English%V 36%N 21%P 2340-2342%! Recognition of anions through NH-pi hydrogen bonds in a bicyclic cyclophane-selectivity for nitrate%O ArticleReprint: Anslyn, EV

%0 Journal Article%A Blachut-Okrasinska, E.%A Lesyng, B.%A Briggs, J.H.%A McCammon, J.A.%D 1999%T Poisson-Boltzmann Model Studies of Molecular Electrostatic Properties of the cAMP-dependent Protein Kinase%B European Biophys. J. with Biophys. Lett.%V 28%P 457-467%! Poisson-Boltzmann Model Studies of Molecular Electrostatic Properties of the cAMP-dependent Protein Kinase

%0 Generic%A Blomberg, M.%A Siegbahn, P.%D 1986%T (MCPF program)%! (MCPF program)%1 M. Blomberg and P. Siegbahn, unpublished work%F Blo86

%0 Journal Article%A Blomberg, M. R. A.%A Siegbahn, P. E. M.%D 1983%T Singlet and triplet energy surfaces of NiH2%B J. Chem. Phys.%V 78%P 5682-5692%! Singlet and triplet energy surfaces of NiH2%F Blo83

%0 Journal Article%A Blum, H.E.%A Harris, J.D.%A Ventura, P.%A Walker, D.%A Staskus, K.%A Retzel, E.%A Haase, A.T.%D 1985%T Synthesis in cell culture of the gapped linear duplex DNA of the slow virus visna%B Virology%V 142%P 270-277%! Synthesis in cell culture of the gapped linear duplex DNA of the slow virus visna

%0 Book Section%A Bobrowicz, F.%A Goddard III, W. A.%D 1977%T The SCF equations for GVB and open-shell HF wave functions%E III, H. F. Schaefer%B Modern Theoretical Chemistry%C New York, London%I Plenum Press%P 79%! The SCF equations for GVB and open-shell HF wave functions%F Bob77

%0 Journal Article%A Bock, C. W.%A George, P.%A Trachtman, M.%D 1984%T Rotation about the C-N bond in 2-aza-1,3-butadiene and the N-N bond in 2,3-diaza-1,3-butadiene: a MO study%B J. Comp. Chem.%V 5%P 395%! Rotation about the C-N bond in 2-aza-1,3-butadiene and the N-N bond in 2,3-diaza-1,3-butadiene: a MO study%F Boc84

%0 Journal Article%A Bock, C. W.%A Trachtman, M.%A George, P.%D 1985%T The distortion of the ring in monosubstituted benzene derivatives: a molecular orbital study%B J. Mol. Struct. (THEOCHEM)%V 122%P 155%! The distortion of the ring in monosubstituted benzene derivatives: a molecular orbital study%F Boc85

%0 Journal Article%A Bock, C. W.%A Trachtman, M.%A George, P.%D 1985%T The effect of including polarization functions on the geometrical parameters calculated for benzene,fluorobenzene and cyanobenzene%B J. Comp. Chem.%V 6%P 592%! The effect of including polarization functions on the geometrical parameters calculated for benzene,fluorobenzene and cyanobenzene%F Boc85

%0 Journal Article%A Bock, C. W.%A Trachtman, M.%A George, P.%D 1986%T The effect of including polarisation functions on the geometrical parameters calculated for pyridine%B J. Comp. Chem.%V 7%P 153%! The effect of including polarisation functions on the geometrical parameters calculated for pyridine%F Boc86

%0 Journal Article%A Bock, H.%A Rosmus, P.%A Solouki, B.%A Maier, G.%D 1984%T Gas Phase Reactions. XXXXVI. Silabenzene: Photoelectron Spectrum from 1-sila-2,5-hexadiene Pyrolysis and Assignment of Valence Ionization Energies%B J. Organomet. Chem.%V 271%P 145%! Gas Phase Reactions. XXXXVI. Silabenzene: Photoelectron Spectrum from 1-sila-2,5-hexadiene Pyrolysis and Assignment of Valence Ionization Energies

%0 Journal Article%A Bode, B.M.%A Gordon, M.S.%D 1999%T MacMolPlt: A Graphical User Interface for GAMESS%B Mol. Graph. Mod.%V 16%P 133-138%! MacMolPlt: A Graphical User Interface for GAMESS

%0 Book Section%A Boeke, J. D.%D 1989%T Transposable Elements in Saccharomyces cerevisiae%E Berg, D. E.%E Howe, M. M.%B Mobile DNA%C Washington D.C.%I American Society for Microbiology%P 335-374%! Transposable Elements in Saccharomyces cerevisiae

%0 Journal Article%A Boekelheide, V.%A Hylton, T.%D 1967%B J. Am. Chem. Soc.%V 89%P 1695

%0 Journal Article%A Boese, R.%A Blaser, D.%A Billups, W. E.%A Haley, M. M.%A Maulitz, A. H.%A Mohler, D. L.%A Vollhardt, K. P. C.%D 1994%T The Effect Of Fusion Of Angular Strained Rings On Benzene - Crystal Structures Of 1,2-Dihydrocyclobuta[a]Cyclopropa[C]-, 1,2,3,4-Tetrahydrodicyclobuta[a,C]-, 1,2,3,4-Tetrahydrodicyclobuta[a,C]Cyclopropa[E]-, and 1,2,3,4,5,6-Hexahydrotricyclobuta[a,C,E]Benzene%B Angewandte Chemie-International Edition In English%V 33%N 3%P 313-317%! The Effect Of Fusion Of Angular Strained Rings On Benzene - Crystal Structures Of 1,2-Dihydrocyclobuta[a]Cyclopropa[C]-, 1,2,3,4-Tetrahydrodicyclobuta[a,C]-, 1,2,3,4-Tetrahydrodicyclobuta[a,C]Cyclopropa[E]-, and 1,2,3,4,5,6-Hexahydrotricyclobuta[a,C,E]Benzene%O ArticleReprint: BOESE R

%0 Journal Article%A Boeyens, J. C. A.%A Denner, L.%A Perold, G. W.%D 1988%T Crystal Structure of 1-(o-tolyl)-naphthalene%B J. Cryst. Spect. Res.%V 18%P 67%! Crystal Structure of 1-(o-tolyl)-naphthalene

%0 Journal Article%A Bofill, J. M.%A Pulay, P.%D 1989%T The unrestricted natural orbital-complete active space (UNO-CAS) method: an inexpensive alternative to the complete active space-self-consistent-field (CAS-SCF) method%B J. Chem. Phys.%V 90%P 3637%! The unrestricted natural orbital-complete active space (UNO-CAS) method: an inexpensive alternative to the complete active space-self-consistent-field (CAS-SCF) method%F Bof89

%0 Journal Article%A Boggs, J. E.%A Cordell, F. R.%D 1981%T Accurate ab initio calculation of the structures and conformations of some boric and fluoboric acids.Basis-set effects on angles around oxygen%B J. Mol. Struct. (THEOCHEM)%V 76%P 329%! Accurate ab initio calculation of the structures and conformations of some boric and fluoboric acids.Basis-set effects on angles around oxygen%F Bog81

%0 Journal Article%A Boggs, J. E.%A Pang, P.%A Pulay, P.%D 1982%T Structures of some fluorinated benzenes determined by ab initio computation%B J. Comp. Chem.%V 3%P 344%! Structures of some fluorinated benzenes determined by ab initio computation%F Bog82

%0 Journal Article%A Bokelmann, C.%A Neumann, W. P.%A Peterseim, M.%D 1992%T Investigations On the Giese Reaction Carried Out With Polymer-Supported Organotin Reagents%B Journal of the Chemical Society-Perkin Transactions I%N 23%P 3165-3167%! Investigations On the Giese Reaction Carried Out With Polymer-Supported Organotin Reagents%O ArticleReprint: NEUMANN WP

%0 Journal Article%A Bolding, B.%A Baldridge, K.%D 2000%T Multithreaded Shared Memory Parallel Implementation of the Electronic Structure Code, GAMESS%B Comp. Phys. Comm.%V in press%! Multithreaded Shared Memory Parallel Implementation of the Electronic Structure Code, GAMESS

%0 Journal Article%A Bolli, M.%A Micura, R.%A Eschenmoser, A.%D 1997%T Pyranosyl-RNA: Chiroselective Self-Assembly of Base Sequences by Ligative Oligomerization of Tetranucleotide-2',3'-cyclophosphates (with a Commentary Concerning the Origin of Biomolecular Homochirality)%B Chem. Biol.%V 4%N 4%P 309-20%! Pyranosyl-RNA: Chiroselective Self-Assembly of Base Sequences by Ligative Oligomerization of Tetranucleotide-2',3'-cyclophosphates (with a Commentary Concerning the Origin of Biomolecular Homochirality)

%0 Journal Article%A Bonaccorsi, R.%A Cimiraglia, R.%A Tomasi, J.%D 1983%T Ab Initio Evaluation of Absorption and Emission Transitions for Molecular Solutes, Including Separate Consideration of Orientational and Inductive Solvent Effects%B J. Comp. Chem.%V 4%P 567-577%! Ab Initio Evaluation of Absorption and Emission Transitions for Molecular Solutes, Including Separate Consideration of Orientational and Inductive Solvent Effects

%0 Journal Article%A Bonacic-Koutecky, V.%A Fantucci, P.%A Koutecky, J.%D 1991%T Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments%B Chem. Rev.%V 91%P 1035-1108%! Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments%F Bon91

%0 Journal Article%A Bond, A.M.%D 1994%B Inorg. Chim. Acta%V 226%P 293-340

%0 Journal Article%A Bondi, A.%D 1964%B J. Phys. Chem.%V 68%P 441

%0 Book%A Bondi, A.%D 1968%T Physical Properties of Molecular Crystals, Liquids, and Glasses%C New York%I Wiley and Sons%P 450-470%! Physical Properties of Molecular Crystals, Liquids, and Glasses

%0 Journal Article%A Bonifacic, V.%A Huzinaga, S.%D 1974%T Atomic and molecular calculations with the model potential method I.%B J. Chem. Phys.%V 60%P 2779%! Atomic and molecular calculations with the model potential method I.%F Bon74

%0 Journal Article%A Bonner, W. A.%D 1991%T The Origin and Amplification of Biomolecular Chirality%B Origins Life Evol. Biosphere%V 21%P 59-111%! The Origin and Amplification of Biomolecular Chirality

%0 Journal Article%A Bonner, W. A.%D 1994%T Enantioselective Autocatalysis. Spontaneous Resolution and the Prebiotic Generation of Chirality%B Origins Life Evol. Biosphere%V 24%P 63-78%! Enantioselective Autocatalysis. Spontaneous Resolution and the Prebiotic Generation of Chirality

%0 Journal Article%A Bonner, W. A.%D 1995%T Chirality and Life%B Origin s Life Evol. Biosphere%V 25%P 175-190%! Chirality and Life

%0 Report%A Book, S.%D 1998%T Drinking Water Standards for MTBE%I State of California, Department of Health Services%! Drinking Water Standards for MTBE

%0 Journal Article%A Boone, L.R.%A Skalka, A.M.%D 1981%T Viral DNA synthesized in vitro by avian retrovirus particles permeablized with melittin. I. Kinetics of synthesis and size of minus- and plus-strand transcripts%B Journal of Virology%V 137%N 1%P 109-116%! Viral DNA synthesized in vitro by avian retrovirus particles permeablized with melittin. I. Kinetics of synthesis and size of minus- and plus-strand transcripts

%0 Journal Article%A Boone, L.R.%A Skalka, A.M.%D 1981%T Viral DNA synthesized in vitro by avian retrovirus particles permeablized with melittin. II. Evidence for a strand displacement mechanism in plus strand synthesis%B Journal of Virology%V 37%N 1%P 117-126%! Viral DNA synthesized in vitro by avian retrovirus particles permeablized with melittin. II. Evidence for a strand displacement mechanism in plus strand synthesis

%0 Book Section%A Boone, L.R.%A Skalka, A.M.%D 1993%T Strand displacement synthesis by reverse transcriptase%E Skalka, A.M.%E Goff, S.P.%B Reverse Transcriptase%C Plainview, NY%I Cold Spring Harbor Laboratory Press%P 119-133%! Strand displacement synthesis by reverse transcriptase

%0 Journal Article%A Booth, R. J.%A Hodges, J. C.%D 1997%T Polymer-supported quenching reagents for parallel purification%B Journal of the American Chemical Society%V 119%N 21%P 4882-4886%! Polymer-supported quenching reagents for parallel purification%O ArticleReprint: Hodges, JC

%0 Journal Article%A Bor, Y.-C.%A Bushman, F.%A Orgel, L.%D 1995%T In Vitro integration of human immunodeficiency virus type 1 cDNA into targets containing protein-induced bends%B Proc. Natl. Acad. Sci. USA%V 92%P 10334-10338%! In Vitro integration of human immunodeficiency virus type 1 cDNA into targets containing protein-induced bends

%0 Journal Article%A Bor, Y.-C.%A Miller, M.%A Bushman, F.%A Orgel, L.%D 1996%T Target Sequence Preferences of HIV-1 Integration Complexes In Vitro%B Virology%V 222%P 238-242%! Target Sequence Preferences of HIV-1 Integration Complexes In Vitro

%0 Journal Article%A Borak, J.%A Pastides, H.%A VanErt, M.%A Russi, M.%D 1998%T Exposure to MTBE and Acute Human Health Effects: A Critical Literature Review%B Human & Ecol. Risk Assess.%V 4%P 177-200%! Exposure to MTBE and Acute Human Health Effects: A Critical Literature Review

%0 Journal Article%A Borchardt, A.%A Fuchicello, A.%A Kilway, K. V.%A Baldridge, K. K.%A Siegel, J. S.%D 1992%T Synthesis and Dynamics Of the Corannulene Nucleus%B Journal Of the American Chemical Society%V 114%N 5%P 1921-1923%! Synthesis and Dynamics Of the Corannulene Nucleus%O ARTICLE - NoteReprint: SIEGEL JS

%0 Journal Article%A Borchardt, A.%A Hardcastle, K.%A Gantzel, P.%A Siegel, J. S.%D 1993%T 1,6,7,10-Tetramethylfluoranthene - Synthesis and Structure Of a Twisted Polynuclear Aromatic Hydrocarbon%B Tetrahedron Letters%V 34%N 2%P 273-276%! 1,6,7,10-Tetramethylfluoranthene - Synthesis and Structure Of a Twisted Polynuclear Aromatic Hydrocarbon%O ArticleReprint: BORCHARDT A

%0 Journal Article%A Born, M.%D 1920%T Volumes and Heats of Hydration of Ions%B Z. Phys.%V 1%P 45%! Volumes and Heats of Hydration of Ions

%0 Journal Article%A Botschwina, P.%D 1979%T Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOCl%B Chem. Phys.%V 40%P 33-44%! Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOCl%F Bot79

%0 Journal Article%A Botschwina, P.%D 1982%T Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes%B Chem. Phys.%V 68%P 41%! Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes%F Bot82

%0 Journal Article%A Botschwina, P.%D 1986%T An ab initio calculation of spectroscopic properties of the azide ion%B J. Chem. Phys.%V 85%P 4591-4593%! An ab initio calculation of spectroscopic properties of the azide ion%F Bot86

%0 Journal Article%A Botschwina, P.%D 1986%T Spectroscopic properties of BH, BF, and HBF+ calculated by SCEP-CEPA%B J. Mol. Spectr.%V 118%P 76%! Spectroscopic properties of BH, BF, and HBF+ calculated by SCEP-CEPA%F Bot86

%0 Journal Article%A Botschwina, P.%D 1988%T Anharmonic potential-energy surfaces, vibrational frequencies and infrared intensities calculated from highly correlated wavefunctions%B J. Chem. Soc. Faraday II%V 84%P 1263%! Anharmonic potential-energy surfaces, vibrational frequencies and infrared intensities calculated from highly correlated wavefunctions%F Bot88

%0 Journal Article%A Botschwina, P.%D 1989%T A theoretical investigation of the astrophysically important molecules C3O and HC3O+%B J. Chem. Phys.%V 90%P 4301%! A theoretical investigation of the astrophysically important molecules C3O and HC3O+%F Bot89

%0 Journal Article%A Botschwina, P.%D 1991%T Ab initio calculations on HC5+, a cation of interest to astrochemistry%B J. Chem. Phys.%V 95%N 6%P 4360-4365%! Ab initio calculations on HC5+, a cation of interest to astrochemistry%F Bot91

%0 Journal Article%A Botschwina, P.%A Sebald, P.%D 1989%T A theoretical investigation of C5%B Chem. Phys. Lett.%V 160%P 485-493%! A theoretical investigation of C5%F Bot89

%0 Book%A Bottcher, C.J.F.%A Bordewijk, P.%D 1978%T Theory of Electric Polarization%C New York%I Elsevier%! Theory of Electric Polarization

%0 Journal Article%A Bouman, T.D.%A Hansen, A.E.%D 1988%B Chem. Phys. Lett.%V 149%P 510

%0 Journal Article%A Bouman, T. D.%A Hansen, {Aa}. E.%D 1992%T NMR shielding calculations including electron correlation --- benzene, pyridine, and the N-azines%B Chem. Phys. Lett.%V 197%P 59%! NMR shielding calculations including electron correlation --- benzene, pyridine, and the N-azines%F Bou92

%0 Journal Article%A Boustani, I.%A Pewestorf, W.%A Fantucci, P.%A Bonacic-Koutecky, V.%A Koutecky, J.%D 1987%T Systematic ab initio configuration-interaction study of alkali-metal clusters: relation between electronic structure and geometry of small Li clusters%B Phys. Rev. B%V 35%P 9437%! Systematic ab initio configuration-interaction study of alkali-metal clusters: relation between electronic structure and geometry of small Li clusters%F Bou87

%0 Journal Article%A Bowen-Jenkins, P.%A Pettersson, L. G. M.%A Siegbahn, P.%A Almlf, J.%A Taylor, P. R.%D 1988%T On the bond distance in methane%B J. Chem. Phys.%V 88%P 6977%! On the bond distance in methane%F Bow88

%0 Journal Article%A Bowerman, B.%A Brown, P.O.%A Bishop, J.M.%A Varmus, H.E.%D 1989%T A nucleoprotein complex mediates the integration of retroviral DNA%B Genes and Development%V 3%P 469-478%! A nucleoprotein complex mediates the integration of retroviral DNA

%0 Journal Article%A Bowers, M. T.%A Kemper, P. R.%A von Helden, G.%A van Koppen, P. A. M.%D 1993%T Gas-phase ion chromatography: transition metal state selection and carbon cluster formation%B Science%V 260%P 1446%! Gas-phase ion chromatography: transition metal state selection and carbon cluster formation%F Bow93

%0 Journal Article%A Bowman, J. M.%D 1978%T Self-consistent field energies and wave functions for coupled oscillators%B J. Chem. Phys.%V 68%P 608-610%! Self-consistent field energies and wave functions for coupled oscillators%F Bow78

%0 Journal Article%A Bowman, J. M.%D 1991%T Vibrational energies and wavefunctions of high energy localized and floppy states of non-rotating HO2%B Chem. Phys. Lett.%V 180%N 3%P 249-256%! Vibrational energies and wavefunctions of high energy localized and floppy states of non-rotating HO2%F Bow91

%0 Journal Article%A Bowman, J. M.%A Wierzbicki, A.%A Zuniga, J.%D 1988%T Exact vibrational energies of non-rotating H2O and D2O using an accurate ab initio potential%B Chem. Phys. Lett.%V 150%P 269%! Exact vibrational energies of non-rotating H2O and D2O using an accurate ab initio potential%F Bow88a

%0 Journal Article%A Boyd, D.B.%A Lipkowitz, K.B.%D 1982%B J. Chem. Ed.%V 59%P 269-274

%0 Journal Article%A Boyd, D. B.%A Smith, D. W.%A Stewart, J. J. P.%A Wimmer, E.%D 1988%T Numerical sensitivity of trajectories across conformational energy hypersurfaces from geometry optimized molecular orbital calculations: AM1,MNDO,and MINDO/3%B J. Comp. Chem.%V 9%P 387%! Numerical sensitivity of trajectories across conformational energy hypersurfaces from geometry optimized molecular orbital calculations: AM1,MNDO,and MINDO/3%F Boy88

%0 Journal Article%A Boyd, R. J.%A Edgecombe, K. E.%D 1982%T Redimensioning GAUSSIAN 76%B QCPE newsletter%V 2%P 10%! Redimensioning GAUSSIAN 76%F Boy82

%0 Journal Article%A Boys, S. F.%D 1950%T (Gaussians)%B Proc. Roy. Soc.%V A200%P 542%! (Gaussians)%F Boy50

%0 Journal Article%A Boys, S. F.%D 1960%T The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation%B Proc. Roy. Soc.%V A258%P 402%! The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation%F Boy60%O Gaussian geminals

%0 Book Section%A Boys, S. F.%D 1966%T Localized orbitals and localized adjustment functions%E Lwdin, P. O.%B Quantum Th. of atoms,mols. & Solid St%C New York, London%I Academic Press%P 253%! Localized orbitals and localized adjustment functions%F Boy66

%0 Journal Article%A Boys, S. F.%A Bernardi, F.%D 1970%T The calculation of small molecular interactions by the differences of several total energies. Some procedures with reduced errors%B Mol. Phys.%V 19%P 553-566%! The calculation of small molecular interactions by the differences of several total energies. Some procedures with reduced errors%F Boy70

%0 Journal Article%A Boys, S. F.%A Cook, G. B.%A Reeves, C. M.%A Shavitt, I.%D 1956%T (Calculation with Gaussians)%B Nature%V 178%P 1207%! (Calculation with Gaussians)%F Boy56

%0 Journal Article%A Braathen, G.O.%A Kveseth, K.%A Nielsen, C.J.%A Hagen, K.%D 1986%B J. Mol. Struct.%V 145%P 45

%0 Journal Article%A Bradley, R. H.%A Brier, P. N.%A Whittle, M. J.%D 1972%T K-type doubling in the millimetre wave spectrum of the C4v molecule BrF5%B J. Mol. Spectr.%V 44%P 530-548%! K-type doubling in the millimetre wave spectrum of the C4v molecule BrF5%F Bra72

%0 Journal Article%A Brady, J.E.%A Carr, P.W.%D 1985%T An Analysis of Dielectric Models of Solvatochromism.%B J. Phys. Chem.%V 89%P 5759%! An Analysis of Dielectric Models of Solvatochromism.

%0 Journal Article%A Braga, M.%A Rosen, A.%A Larsson, S.%D 1991%T Electronic transitions on C60 and its ions%B Z. Phys. D%V 19%P 435-438%! Electronic transitions on C60 and its ions%J Zeitschrift fr Physik D: Atoms, molecules, and clusters%F Bra91

%0 Journal Article%A Bramwell, S. T.%A Williams, J. H.%D 1992%T Thermal Expansion of the Lowest-Temperature Phase of Benzene - Hexafluorobenzene%B Journal of the Chemical Society-Faraday Transactions%V 88%N 18%P 2721-2724%! Thermal Expansion of the Lowest-Temperature Phase of Benzene - Hexafluorobenzene%O ArticleReprint: BRAMWELL ST

%0 Journal Arti