Volume 51 a Zei t schr i f t f ü r N a t u r f o r s c h u n g 1996

Inhaltsverzeichnis

N u m b e r 1/2

Original Communications

Monte Carlo Simulation of the Director Field of a Nematic Liquid Crystal with Three Elastic Coeffi-cients T. G R U H N a n d S. HESS 1

Effect of a Tangential Electric Field on the Second Harmonic Resonance in Kelvin-Helmholtz Flow R . K . SINGLA, R . K . CHHABRA,

a n d S. K . TREHAN 10

Rayleigh-Taylor Instability of Viscous-Viscoelastic Fluids in Presence of Suspended Particles Through Porous Medium P . KUMAR 17

An EPR Study on V 0 2 + and M n 2 + Ions in Some Zeolites F. U C U N a n d F. KÖKSAL 2 3

The 2v5 Overtone Band of Cyanoacetylene by High Resolution FTIR Spectroscopy K . M . T . YAMADA, A . MORAVEC, M . NIEDENHOFF,

H . BÜRGER, a n d G . WINNEWISSER 2 7

Intensities and Widths of the Rovibrational Lines Ob-served in the 2 v5 Overtone Band of Cyanoacetylene K . M . T YAMADA, A . MORAVEC, M . NIEDENHOFF,

a n d G . WINNEWISSER 3 6

An ab initio Study of the Molecular Electric-Field Gradients of the Chlorsilanes H . U . SUTER, D . M . MARIC, a n d P . F. MEIER 4 1

Distortion of the Benzene Ring in 1,2,3-Trifluoroben-zene; A High-Resolution Molecular Beam Fourier Transform Microwave Study U . WOLSCHENDORF, U . KRETSCHMER,

a n d D . H . SUTTER 4 6

Microwave and Millimeterwave Spectrum of 1,1-Di-fluoroethylene and the Vibrational Mode v10 f rom F T - I R S p e c t r o s c o p y

H . ZERBE-FOESE, A . GUARNIERI,

a n d O . L . STIEFVATER 53

The Structure of Zinc Chloride Complexes in Aqueous Solution M . MAEDA, T. ITO, M . HORI,

a n d G . JOHANSSON 6 3

Determination of the Partial Structure Factors of Amorphous CuZr by Anomalous X-Ray Scattering and Reverse Monte Carlo M . BIONDUCCI, F. BUFFA, G . LICHERI, G . NAVARRA,

B. BOUCHET-FABRE, a n d J. M . TONNERRE 71

Self-Diffusion in the Ionic Plastic Phase of ( C H 3 ) 3 N H C 1 0 4 Studied by l H N M R and Electri-cal Conductivity H . ISHIDA a n d Y. FURUKAWA 8 3

Description of the Glass Transition by a Percolation Blocking of Local Chemical Order J. BLETRY 8 7

The Role of Conjugative Interaction in Stable Carbe-nes of the l,2,4-Triazol-5-ylidene Type and their Energy of Dimerization. An Ab Initio Study G . RAABE, K . BREUER, D . ENDERS,

a n d J. H . TELES 9 5

Reaction of Trimethyl- and Dimethyl-Silyl Radicals with Pentamethyldisilane C . KERST, P . POTZINGER,

a n d H . G G . WAGNER 1 0 2

The Mercury-Sensitized Photolysis of Pentamethyldi-silane C . KERST, P . POTZINGER,

a n d H . G G . WAGNER 1 0 5

Charge-Transfer Complexes Between Iodine and Sub-stituted Thioureas: Determination of Thermody-namic and Spectroscopic Properties C . FOOKEN a n d W. BAUMANN 1 1 6

Terahertz Spectrum of Trioxane H . KLEIN, S . P . BELOV, a n d G . WINNEWISSER 123

The Rotational Spectrum and Nuclear Quadrupole Coupling of CH 3 5 C1F 2

S. BLANCO, A . LESARRI, J. C . LOPEZ, J. L . ALONSO,

a n d A . GUARNIERI 129

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I nhal t sverze ichnis VII

N u m b e r 3

Original Communications

Cluster Format ion in Liquid Lithium Niobate. A Small Angle X-ray Scattering Investigation P . ANDONOV, S. KIMURA, T. SAWADA,

a n d A . KOBAYASHI 133

Microscopic Stress Tensor of Nematic Liquid Crystal Binary Mixtures A . CHRZANOWSKA a n d P . T. JOCHYM 147

Internal Cation Mobilities in the Molten Binary Sys-tem (Ag, T 1 ) N 0 3

P . - H . CHOU a n d I . OKADA 197

Ro-inversional Spectrum of Ammonia G . WINNEWISSER, S. P . BELOV, T H . KLAUS,

a n d S . URBAN 2 0 0

Nuclear Quadrupole Hyperfine Structure of the Di-rect /-Type Transitions of the Fulminic Acid Isoto-pomers H 1 2 C 1 4 N 1 6 0 and H 1 3 C 1 4 N 1 6 0 J. PREUSSER a n d M . WINNEWISSER 2 0 7

On the Interaction of the S" Ion with H 2 at low Collision Energies H . GRITLI , G . CHAMBAUD, a n d P . ROSMUS 151

Molecular Dynamics in the Columnar and Lamellar Mesophases of a Liquid Crystal of Biforked Molecules C . C R U Z , J. L . FIGUEIRINHAS, P . J. SEBASTIAO,

A . C . RIBEIRO, F. NOACK, H . T. NGUYEN,

B. HEINRICH, a n d D . GUILLON 155

Note

Dielectric Properties of Solutions of a Binary Mixture Resorcinol/n-Dodecanol in Heptane A . GHONEIM, G . TURKY, F. F. HANNA,

a n d M . STOCKHAUSEN 2 1 5

Erratum 218

Painleve Analysis and Symbolic Computat ion for a Nonlinear Schrödinger Equation with Dissipative Perturbations B. TIAN a n d Y.-T. G A O 167

Generalized tanh Method and Four Families of Soli-ton-Like Solutions for a Generalized Shallow Wa-ter Wave Equation B. TIAN a n d Y.-T. G A O 171

Truncated Painleve Expansion with Symbolic Com-putation for a General Kadomtsev-Petviashvili Equation with Variable Coefficients B. TIAN a n d Y.-T. G A O 175

Short-Range Order in K P 0 3 Glass Studied by Neu-tron and X-Ray Diffraction U . HOPPE, G . WALTER, D . STACHEL,

a n d A . C . HANNON 179

Heat Capacities of Thermally Treated N a 2 0 - 3 B 2 0 3

Glasses Above and Below Tg

P. MUSTARELLI, C . TOMASI, a n d M . VILLA 187

p . T Dependence of the Self Diffusion Coefficients and Densities in Liquid Silicone Oils A . THERN a n d H . - D . LÜDEMANN 192

N U M B E R 4

Original Communications

Energy Surfaces of Ellipsoidal Billiards J. WIERSIG a n d P . H . RICHTER 2 1 9

EPR Study of C r 5 + and C u 2 + in Some Zeolites Intro-duced by Solid- and Liquid-State Reactions F. KÖKSAL, F. U C U N , a n d i . KARTAL 2 4 2

EPR of V 0 2 + in ZnTiF 6 • 6 H 2 0 G . JAYARAM a n d V. G . KRISHNAN 2 4 5

Calculation of the Partition Function of a Double Minimum Oscillator f rom a Modified Variation Perturbat ion Method G . TAUBMANN 2 4 9

Solving the Schrödinger-equation as a One-dimen-sional Problem. III. One-electron Systems with Im-proved Discretization Algorithms H . PREUSS a n d M . PERNPOINTNER 2 5 7

Structural and Defect Study of L i M n 2 0 4 Formation V. MASSAROTTI, M . BINI, a n d D . CAPSONI 2 6 7

Inhal t sverze ichnis VII

Relaxation of 27AI N M R in Aluminium Tribromide due to Raman Process N . OKUBO, M . IGARASHI, a n d R . YOSHIZAKI 2 7 7

Electronic Structure of the C 6 0 Fragment in Alkali-and Alkaline-earth-doped Füllendes M . C . BÖHM, T. SCHEDEL-NIEDRIG, H . WERNER,

R . SCHLÖGL, J. SCHULTE, a n d J. SCHÜTT 2 8 3

Analysis of Torsion in a Three-Top Molecule. Tor-sional Barrier and Moment of Inertia of Trimethyl Ethynyl Germane K . VOGES, J. GRIPP , H . HARTWIG,

a n d H . DREIZLER 2 9 9

Dielectric Studies of trans,trans-4'-«-Pentyl-bicyclo-hexyl-4-carbonitrile (5 CCH) under High Pressure T. BRÜCKERT a n d A . WÜRFLINGER 3 0 6

Note

On Anyonic Variables and Fractional Supersymmetry E . AHMED 3 1 3

Enhanced Information Recovery in 2D On- and Off-Resonance Nutat ion N Q R using the Maximum Entropy Method M . MACKOWIAK a n d P . K^TOWSKI 3 3 7

Zeeman Transitions in Low Magnetic Field: Depen-dence of Line Shapes on the Asymmetry Parameter for Spin > 3/2 Systems D . STEPHENSON a n d J. A . S. SMITH 3 4 8

Fast £ -NQR Imaging with Slice Selection H . ROBERT a n d D . J . PUSIOL 3 5 3

One Pulse Spin-locking in N Q R B. BANDYOPADHYAY, G . B. FURMAN,

S. D . GOREN, C . K O R N , a n d A . I . SHAMES 3 5 7

Rapid Measurement of Nutat ion N Q R Spectra in Powders Using an R F Pulse Train N . SLNYAVSKY, M . OSTAFIN,

a n d M . MACKOWIAK 3 6 3

(B) Mössbauer Spectroscopy

N u m b e r 5/6

XIII International Symposium on Nuclear Quadrupole Interactions

Laudatio 317

Preface 319

Contributions

(A) Advanced Techniques in NQR and NMR

A Comparison of Strategies for Obtaining High-Res-olution N M R Spectra of Quadrupolar Nuclei R . E . YOUNGMAN, U . WERNER-ZWANZIGER,

a n d J. W. ZWANZIGER 3 2 1

Multidimensional NQR: Imaging and Exchange Spectroscopy R . KIMMICH 3 3 0

Measurement of Nuclear Quadrupole Interactions us-ing Mössbauer Spectroscopy D . C . COOK 3 6 8

Molecular Origin of Glass Forming Tendency in Ternary T e - S e - B r ( C l ) Chalcohalide Glasses W. J. BRESSER, J. WELLS, M . ZHANG,

a n d P . BOOLCHAND 3 7 3

Mössbauer Effect in Biomedical Research: Variations of Quadrupole Splitting in Relation to the Qualita-tive Changes of Biomolecules M . I . OSHTRAKH 3 8 1

i

Mössbauer Spectroscopy Evidence for Phase Selectiv-ity in Excimer Laser Induced Amorphization of Thermally Annealed FeCoBSi Metallic Glass M . SORESCU a n d E . T. KNOBBE 3 8 9

(C) Perturbed Angular Correlations

Nuclear Quadrupole Interactions Studied by Time Differential Perturbed Angular Correlations of y-Rays T. BUTZ 3 9 6

I nhal t sverze ichnis VII

Characterizing Phase Transitions in the Perovskites P b T i 0 3 and B a T i 0 3 Using Perturbed-Angular-Correlation Spectroscopy G . L . CATCHEN, E . F. HOLLINGER,

a n d T. M . REARICK 4 1 1

Bayes' Theorem Applied to the Selection of Models in PAC L . HEMMINGSEN a n d S. HANSEN 4 2 2

Hg-Coordination Studies of Cysteine Containing Oligopeptides W. TRÖGER, C . LIPPERT, P . SCHMIDT, U . SCHMIDT,

T. BUTZ, R . HOFFMANN, M . ZEPPEZAUER,

and the ISOLDE Collaboration 427

Small Scale Intramolecular Flexibility in l l l m C d -Plastocyanin W. TRÖGER, C . LIPPERT, T. BUTZ, K . SIGFRIDSSON,

Ö . HANSSON, E . MCLAUGHLIN, R . BAUER,

E . DANIELSEN, L . HEMMINGSEN, M . J . BJERRUM,

a n d the I S O L D E C o l l a b o r a t i o n 431

PAC Studies of Ag-Hf Intermetallic Compounds P . WODNIECKI, B. WODNIECKA, M . MARSZALEK,

a n d A . Z . HRYNKIEWICZ 4 3 7

(Dj Electric Field Gradients: Calculations and Experimental Values

1 7 0 Nuclear Quadrupole Coupling in Molecular and Lattice Systems by ab initio Calculation of Electric Field Gradients M . H . PALMER 442

Nuclear Quadrupole Coupling Constant Assignments for a Series of Azoles and Azines by Hartree-Fock SCF-Cluster and Lattice Calculations M . H . PALMER 4 5 1

The Charge Distribution in Amides and Thioamides by Nuclear Quadrupole Coupling, Dipole Mo-ments and Electronic Structure Calculations M . H . PALMER 4 6 0

Quadrupole Coupling in Purines and Pyrimidines by Hartree-Fock Lattice Calculations of Electric Field Gradients M . H . PALMER 4 7 9

Electric Field Gradients Around Point Defects in Metals A . SEEGER, J. EHMANN, a n d M . FÄHNLE 4 8 9

Solid Effect Between Quadrupolar Transitions in Di-lute Cu-Pd Alloys K . KONZELMANN, G . MAJER, a n d A . SEEGER 5 0 6

Ab-initio Band Structure Calculations and 6 1 Ni-Mössbauer Studies of B a N i 0 2 , B a N i 0 3 and CaNiN B. HANNEBAUER, P . C . SCHMIDT, R . KNIEP,

N . JANSEN, D . WALCHER, P . GÜTLICH,

R . GOTTSCHALL, R . SCHÖLLHORN,

a n d M . METHFESSEL 5 1 5

Electric Field Gradient Calculations of Various Borides K . SCHWARZ, H . RIPPLINGER, a n d P . BLAHA 5 2 7

Conformat ional Analysis of Chloromethylenimine and its Hydrogen-Bonded Dimers with Water f rom the Study of Nuclear Quadrupole Interactions N . SATHYAN, V. SANTHANAM,

a n d J. SOBHANADRI 5 3 4

Study of the E F G Trends in Zr 2 T (T = Fe, Co, Ni) Intermetallic Compounds H . M . PETRILLI, M . MARSZALEK,

a n d H . SAITOVITCH 5 3 7

35C1 N Q R of the N-Cl Bond and the Modified Tow-nes-Daily Theory G . V . DOLGUSHIN, I . M . LAZAREV, P . A . NIKITIN,

a n d L . I . LARINA 5 4 4

Ab initio and M N D O Calculations of the 35C1 N Q R Parameters of Some Organic and Inorganic Molecules V. P . FESHIN a n d M . Y u . KONSHIN 5 4 9

F-Tensor Coefficients in Electric Field Gradient Cal-culations for Non-Coulombic Potentials M . J . PONNAMBALAM 5 5 4

Electric Field Gradients for Small Antimony Based Zintl Clusters f rom Hartree-Fock Investigations F. HAGELBERG, T P . DAS, a n d K . G . WEIL 5 5 7

Study of the Location of Implanted Fluorine Atoms in Silicon and Germanium through Their Nuclear Quadrupole Interactions ST. S. NUNES, S. SULAIMAN, N . SAHOO, T. P . DAS,

M . FRANK. W. KREISCHE, a n d K . B. NIELSEN 5 6 0

Inhal tsverzeichnis VII

Theory of Nuclear Quadrupole Interactions in Solid Fluoromethanes with Implanted 1 9 F* Nuclei. Cou-pling of HF* and Host Molecule G . G O W R I , T. BRIERE, S . SRINIVAS, H . - S . CHO,

T. P . DAS, M . FRANK, W. KREISCHE,

a n d K . V. S. RAMA RAO 5 6 5

(E) Structure and Bonding in Crystalline Solids and Glasses

Nuclear Quadrupole Interactions as a Probe of Glass Molecular Structure P . BOOLCHAND 5 7 2

The Structure of Glasses Studied by M A S - N M R Spectroscopy of Quadrupolar Nuclei W. MÜLLER-WARMUTH 5 8 5

Magnetic Resonances o f 5 1 V , 2 0 9Bi, M n 2 + , and Fe 3 +

in B iV0 4 Single Crystals S . - H . CHOH 591

Nuclear Quadrupole Resonance in Amorphous Semi-conductors P . C . T A Y L O R 6 0 3

Chlorine Substituted Acetic Acids and Salts. Effect of Salification on Chlorine-35 N Q R S. DAVID, M . GOURDJI , L . GUIBE,

a n d A . PENEAU 6 1 1

Verification of the "Tg-A Rule" in Potassium Silicate and Sodium Tungstate Glasses T. NISHIDA 6 2 0

Electric Field Effect on N Q R in Ferroelectric Mate-rials J. K . JUNG, H . J . KIM, K . T . H A N ,

a n d S. H . CHOH 6 4 6

1 2 _I NQR Spectra of Iodobenzoic Acid and Iodophe-nol Derivatives. H-Bonds and C-I Characteristic Bonds of these Substances T. A . BABUSHKINA, Y U . V. GOLTYAPIN,

a n d S. I . GUSHCHIN 6 5 1

2 3 Na Spin-Lattice Relaxation Measurements in De-hydrated Na-X Zeolite M . IGARASHI, N . OKUBO, S . HASHIMOTO,

R . YOSHIZAKI, a n d D . J. CHA 6 5 7

Powder Spectra of 5 1V N M R in CuV 2 S 4 : Possible Coexistence of Charge and Spin Density Waves H . NISHIHARA, N . TODO, T. HAGINO,

a n d S. NAGATA 6 6 2

Magnetic Properties of the Bismuth Oxide a - B i 2 0 3

A . I . KHARKOVSKII, V. I . NIZHANKOVSKII,

E . A . KRAVCHENKO, a n d V. G . ORLOV 6 6 5

Correlation between Structural, Infrared and Nuclear Quadrupole Resonance Data of Iodates A . M . PETROSYAN a n d V . A . SHISHKIN 6 6 7

1 2 1Sb N M R and SCF-MS-Xx Studies of Quadrupole Interaction and the Electronic Structure of Mixed-Valence Compound, Cs 2 SbCl 6

T. UEDA a n d N . NAKAMURA 6 7 2

The Bond N - C l . (Ill): A 35C1 N Q R and X-Ray Dif-fraction Study of N-Chloro-N-(2,6-Dichloro-phenyl)-Acetamides B. THIMME G O W D A , S.-QI D O U ,

a n d A L . WEISS 6 2 7

6 3 Cu N Q R Studies of Two- and Three-coordinated Complexes of Cu(I) with Siloxyl Ligands F. KHAJEHNOURI, S. MOTALLEBI,

a n d E . A . C . LÜCKEN 637

(F) Phase Transitions, Atomic Motions, Dynamics, Relaxation, Temperature Dependence

An N Q R Study of Inclusion Compounds Formed Between Small Chlorine-containing Molecules and bis (N-alkylimidazolidine-2-thione)Cu(I) Halide Complexes Y . - N . ZHAO, S . RAMAPRABHU,

a n d E . A . C . LÜCKEN 6 7 7

Electronic Characteristics of S n - H a l Bonds in Hexa-and Pentacoordinate Tin(IV) Adducts of Type R„SnHal 4_„L x

E . A . KRAVCHENKO a n d M . Y u . BURTZEV 6 4 1

Structure and Successive Phase Transitions of RGeBr 3

(R = Alkylammonium) Studied by Means of N Q R T. OKUDA, S . GOTOU, T. TAKAHASHI, H . TERAO,

a n d K . YAMADA 6 8 6

VIII Inhal tsverzeichnis

Motion of Water Molecules and Hydrogen Bonds in Zinc Hexachlorostannate (IV) Hexahydrate as Studied by XH N M R and 35C1 N Q R A . ISHIKAWA, A . SASANE, Y. HIRAKAWA,

a n d Y. MORI 6 9 3

Anharmonic Librations and the Temperature Depen-dence of N Q R Frequencies C . MENDONQA a n d S. R . RABBANI 6 9 8

Successive Phase Transitions in Potassium Hexa-chloroselenate(IV) Revealed by 35C1 N Q R T. ASAJI, M . OHKAWA, T. CHIBA,

a n d M . KAGA 7 0 5

Nuclear Spin-Lattice Relaxation of a Spin System with Strong Heteronuclear Magnetic Interaction G . B. FURMAN, E . M . KUNOFF,

a n d S . D . GOREN 7 1 0

35C1 N Q R Study of Thermoactivated Motions of Ni-tro Groups in Picryl Chloride I . A . KYUNTSEL 7 1 3

N Q R Investigation of Anion Dynamics in Rb 2 Zn(Cl 1 _ ,Br ; c ) 4

R . K . SUBRAMANIAN, S . U . MAHESWARI, K . VENU,

a n d V. S. S. SASTRY 7 4 5

35C1 N Q R in Solid Trichloroacetyl Halides A . D . GORDEEV, A . N . OSIPENKO,

a n d G . B. SOIFER 7 5 1

NQR and Phase Transitions of Tetramethylammo-nium Tetrahalogenomercurates (II) H . TER AO, T. OKUDA, K . YAMADA, H . ISHIHARA,

a n d A L . WEISS 7 5 5

1 5N and 1 3 3 Cs Solid N M R Studies on Ionic Dynam-ics in Plastic C s N 0 2

H . HONDA, M . KENMOTSU, N . ONODA-YAMAMURO,

H . OHKI , S. ISHIMARU, R . IKEDA,

a n d Y. FURUKAWA 7 6 1

Temperature Dependence of 1 4 N N Q R and Phase Transitions in K N 0 2 Powder H . J. KIM, K . T. H A N , a n d S . H . CHOH 7 6 9

Anharmonic Lattice Vibrations and the Temperature Shift of Raman Spectral Lines C . MENDON^A a n d S. R . RABBANI 7 1 6

N Q R and N M R Studies of Phase Transitions in R 2 P b [ C u ( N 0 2 ) 6 ] (R = K, Rb, Tl, Cs, and N H 4 ) M . M I Z U N O . M . SUHARA, T. ASAJI,

a n d Y. FURUKAWA 7 2 1

Spin Reorientation Phenomena in ( R j _ ;cR^.)2Co14B Compounds T. MYOJIN, T. OHNO, K . M I Z U N O , A . TSUJIMURA,

a n d K . KOJIMA 7 2 6

A Pulsed 35C1 N Q R Study on the Molecular Motions and Phase Transition of 4-Chlorobenzyl Alcohol H . NIKI , K . KANO, a n d M . HASHIMOTO 7 3 1

Chlorine N Q R and Phase Transitions in NOC1 J. PIRNAT, Z . TRONTELJ, a n d H . BORRMANN 7 3 6

Phase Transition of C 5 H 5 N H S b B r 4 Having a Hyper-valent Bond: A 2 H N M R and X-Ray Diffraction Study. [Phase Transition of C 5 H 5 N H S b B r 4 ] K . YAMADA, T. OHTANI, S. SHIRAKAWA, H . OHKI ,

T. OKUDA, T. KAMIYAMA, a n d K . OIKAWA 7 3 9

Change in 5 1V Relaxation Rates due to C D W in CuV 2S 4

T. OHNO, Y. KISHIMOTO, T. KANASHIRO,

M . MIYAMOTO, T. TANAKA,

a n d K . MIYATANI 7 7 3

On the Structure of Some Pentaerythritol-Related Molecular Crystals with Pseudotetrahedral Molec-ular Structure. Ordered Structure of 2,2-Bis(bro-momethyl)-l ,3-propanediol and Orientationally Disordered Structure of 2-Chloromethyl-2-methyl-1,3-dichloropropane; 35C1 N Q R S.-Q. D o u , H . FUESS, R . STRAUSS,

a n d A L . WEISS 7 7 7

(G) Superconductors

Inter-plane Coupling and Spin G a p - an N M R / N Q R Look on Typical Properties of High-Temperature Superconductors D . BRINKMANN 7 8 6

Ru N M R and N Q R Studies in CeRu 2

K . ISHIDA, H . M U K U D A , Y. KITAOKA, K . ASAYAMA,

a n d Y. ONUKI 7 9 3

Inhal tsverze ichnis IX

C u ( l ) N Q R in Y1_xPtxBsl2Cu3Ö1

T. OHNO, H . NISHIHARA, K . KOYAMA,

a n d H . YASUOKA 797

6 3 C u - N M R Study in H i g h - r c Superconductor H g B a 2 C a 2 C u 3 0 8 + 8

K . MAGISHI, G . - Q . ZHENG, Y. KITAOKA,

K . ASAYAMA, K . TOKIWA, A . IYO,

a n d H . IHARA 8 0 1

N u m b e r 7

Analysis of the F T I R Bands v u and v8 of 1,1-difluo-roethylene with Rotational Background In fo rma-tion on Excited States 0 . L . STIEFVATER 8 5 1

Investigation of the Structure of Liquid Pyridine: a Molecular Dynamics Simulation, an R I S M , and an X-ray Diffract ion Study 1. BAKÖ, T. RADNAI, a n d G . PÄLINKÄS 8 5 9

Liquid Crystals and Glasses in Binary Systems f r o m Sodium and Alkal i-Earth Metal Butyrates T. A . MIRNAYA, Y .V . BEREZNITSKI,

a n d S. V. VOLKOV 8 6 7

Original Communications

The Influence of Mat te r and Black-Body Radia t ion Photons on the Dipole Polarizabilities a and y of Atoms U . HOHM 8 0 5

Laser Ionisation Spectroscopy of Formyl Fluoride R . P . SCHMID a n d H . JONES 8 0 9

Solid State Reaction Study of the System C o - L i 2 C 0 3

A . MARINI, V. BERBENNI, V. MASSAROTTI,

D . CAPSONI, a n d G . BRUNI 8 1 3

Phase Diagram of the Orientat ional Order-disor-der Binary System 2,2-dimethyl- l ,3-propane-diol/2,2-dimethyl-l ,3-diaminopropane, [ (CH 3 ) 2

C ( C H 2 O H ) 2 L [ ( C H 3 ) 2 C ( C H 2 N H 2 ) 2 ] 1 _ X . A T h e r -

modynamic , X-ray, and ^ - N M R - s t u d y R . STRAUSS, S. BRAUN, S . - Q . D O U , H . FUESS,

a n d A L . WEISS t 8 7 1

Note

Quant i f icat ion of Symmetry I . NOVAK 882

Effect of Rotat ion on Thermal Instability in Rivlin-Ericksen Elastico-Viscous Fluid R . C . SHARMA a n d P . KUMAR 8 2 1

A Theoretical Model ing of the Static and Dynamic Polarizability of O 2 - in Large and Complex Oxides D . RAY, H . ANTON, P . C . SCHMIDT,

a n d A L . WEISS t 8 2 5

ESR Spectrum and Magnet ic Behavior of Copper( I I ) Sebacate L . LEZAMA, T. ROJO, E . J. BARAN,

a n d M . H . TORRE 8 3 1

Dielectric Relaxation Studies of 4-«-Alkyloxy-4'-Cyanobiphenyls («OCB, n = 5 - 8 ) S. URBAN, B . GESTBLOM, H . KRESSE,

a n d R . DABROWSKI 8 3 4

Erratum 884

Perylene-like Dyes in Liquid Crystalline Media E . MYKOWSKA a n d D . BAUMAN 843

N u m b e r 8

Original Communications

E P R Studies of T b 4 + in Single Crystals of Zircon and Scheelite Structure Silicates and Germana tes S. HANSEN, B. D . MOSEL, W. MÜLLER-WARMUTH,

a n d P . E . FIELDING 8 8 5

ESR of G a m m a Irradiat ion Damage Centers in Single Crystals of Some Glutamic Acid Derivatives D . M . ZENGIN, M . BIREY, H . AKTAS,

A . HANCER, a n d A . M . MURATHAN 8 9 5

T H z Rotat ional Spectra of HBr Iso topomers in their y = 0, 1 States A . H . SALECK, T. KLAUS, S. P . BELOV,

a n d G . WINNEWISSER 8 9 8

Inhal tsverzeichnis VII

Fluorescence Properties of /?-Quaterphenyl and p-Quinquephenyl Derivatives in Liquid Solvents A . KAWSKI, G . PISZCZEK, a n d A . KUBICKI 9 0 5

1 3C CP/MAS N M R Study of the Layered Compounds [ C 6 H 5 C H 2 C H 2 N H 3 ] 2 [ C H 3 N H 3 ] n - 1 P b n I 3 n + 1 ( » = 1 ,2 ) T. UEDA, K . SHIMIZU, H . OHKI ,

a n d T. OKUDA 9 1 0

Investigation of the Reaction between F e 2 0 3 and Si Activated by Ball Milling G . CONCAS, F. CONGIU, A . CORRIAS,

C . MUNTONI, G . PASCHINA, a n d D . ZEDDA 9 1 5

The Microwave Spectrum of trans-2,3-Dimethyloxi-rane in Torsional Excited States H . HARTWIG a n d H . DREIZLER 9 2 3

Dielectric Behaviour of l-(4-Isothiocyanatophenyl)-2-(4-hexyl-bicyclo[2,2,2]octane-l)ethane in Ne-matic and Isotropic Phases J. JADZYN, C . LEGRAND. P . K^DZIORA, B. ZYWUCKI,

G . CZECHOWSKI, a n d D . BAUMAN 9 3 3

Magnetic Solitons in the 1-D Antiferromagnetic Chains of L i 2 Mn 0 9 8 F e 0 0 2 F 5 and N a 2 M n 0 9 8

Feo.o2f75 C H . FROMMEN, M . MANGOLD, a n d J. PEBLER 9 3 9

/?-cyclodextrine and Water: Semiempirical Calcula-tions C . MARGHERITIS a n d C . SINISTRI 9 5 0

Phase Diagrams of Binary Alkanoate Systems with Common Cation: Potassium Isobutyrate-Propio-nate, and Sodium Butyrate-Isobutyrate T. A . MIRNAYA, G . G . YAREMCHUK,

a n d S. V. VOLKOV 9 5 7

Notes

Time Reversibility and the Logical Structure of the Universe H . H . DIEBNER, T. KIRNER,

a n d O . E . RÖSSLER 9 6 0

A Remark on the Two-State Model of Dielectric Re-laxation H . - G . KÖHNE a n d M . STOCKHAUSEN 9 6 3

N u m b e r 9

Original Communications

Non-Linear Generalization of the Relativistic Schrö-dinger Equations U . OCHS a n d M . SORG 9 6 5

Structure of Metallic Glasses: Experiments and Models P . LAMPARTER a n d S. STEEB 9 8 3

*H and 1 9 F N M R Study of Cation and Anion Motions in Guanidinium Hexafluorozirconate M . GROTTEL, A . KOZAK, a n d Z . PAJ^K 991

Detection of A r - C H 4 Complexes in the 7 (im Region by Diode Laser Spectroscopy I . PAK, M . H E P P , D . A . ROTH, G . WINNEWISSER,

a n d K . M . T. YAMADA 9 9 7

Ion Acoustic Soliton in an Electron Beam Plasma P . CHATTERJEE a n d R . ROYCHOUDHURY 1 0 0 2

A Fundamental Structure of Continuum Mechanics I. Elastic Systems B. STUKE 1007

A Theoretical Study on Intramolecular Cyclization of Azidobenzotriazine to Tetrazolobenzotriazines A . N . ASAAD a n d EL S. H . EL ASHRY 1 0 1 2

Dielectric Studies of a Series of Liquid Crystalline Pyridine Derivates S. HEINEMANN, H . KRESSE, S. SAITO,

a n d D . DEMUS 1 0 1 9

Isolated versus Condensed Anion Structure: the In-fluence of the Cation Size and Hydrogen Bond on Structure and Phase Transition in M X | ~ Complex Salts. 2,2-Dimethyl-l,3-propanediammonium Tetra-bromocadmate(II) Monohydrate , Dimethylammo-nium Tetrabromozincate(II), and Dimethylammo-nium Tetrabromocadmate(II) H . ISHIHARA, S. D o u , K . HORIUCHI,

V. G . KRISHNAN, H . PAULUS, H . FUESS,

a n d A L . WEISS t 1 0 2 7

Photoselection of Luminescent Molecules in Aniso-tropic Media in the Case of Two-Photon Excitation. Part II. Experimental Studies of Hoechst 33342 in Stretched Polyvinyl alcohol) Films A . KAWSKI, Z . GRYCZYNSKI, I , GRYCZYNSKI,

J. R . LAKOWICZ, a n d G . PISZCZEK 1037

Inhal tsverze ichnis VII

Note

The Dependence of Vicinal Proton-Proton Coupling Constants of Norbornenes on Molecular Structure Z . MARKOVIC, S. KONSTANTINOVIC,

a n d I . GUTMAN 1 0 4 2

Analysis of Internal Rotation and Determination of the Heavy Atom Structure of anti-2,3-Dimethyl-thiirane by Fourier Transform Microwave Spec-troscopy H . HARTWIG a n d H . DREIZLER 1 0 9 9

The 3 3S Nuclear Quadrupole Coupling in the Rota-tional Spectrum of a>zf/-2,3-Dimethylthiirane J . - U . GRABOW a n d H . DREIZLER 1 1 0 7

N u m b e r 10/11

Original Communications

Resolution of Constraints and Gauge Equivalence in Algebraic Schrödinger Representation of Quantum Electrodynamics H . STUMPF a n d W. PFISTER 1 0 4 5

EPR Investigation of V 0 2 + Ion in [CNH2)3]3A1F6

Single Crystals T. L . KASTURI, G . JAYARAM,

a n d V. G . KRISHNAN 1 0 6 7

Enumeration of Chemical Isomers of Polycyclic Con-jugated Hydrocarbons with Six-Membered and Five-Membered Rings J. BRUNVOLL, B. N . CYVIN, S. J. CYVIN,

G . BRINKMANN, a n d J. BORNHÖFT 1 0 7 3

Novel Formulation of the Gibbs-Energy Change in Terms of Stoichiometrically Unique Response Re-actions I . FISHTIK, I . NAGYPÄL, a n d I . GUTMAN 1 0 7 9

EPR Spectroscopy of Some M n 2 + Doped Lang-beinites with Regard to Low Temperature Phases T. BÖTTJER a n d M . STOCKHAUSEN 1 0 8 4

Methane as Carrier Gas for Molecular Beam Mi-crowave Spectroscopy to Observe Transitions of Higher Rotational Energy Levels F. LORENZO, J . - U . GRABOW,

a n d H . DREIZLER 1 0 9 1

The 3 3S Nuclear Quadrupole Coupling in the Rota-tional Spectrum of 2,2-Dimethylthiirane J . - U . GRABOW, M . ONDA, a n d H . DREIZLER 1 1 1 0

Solving the Schrödinger-Equation as a One-dimen-sional Problem. IV. Correlation Contributions for the Two-Electron Systems He and H 2 Applying the One-dimensional Formalism (In German) M . PERNPOINTNER a n d H . PREUSS 1 1 1 3

EPR Studies of C r 3 + and F e 3 + in Host Crystals with Langbeinite Structure J. KASTNER, B. D . MOSEL,

a n d W. MÜLLER-WARMUTH 1 1 2 3

Additions of Cyclopentadiene to a Dissymmetric Maleic Anhydride: Semiempirical Calculations of Their Thermodynamics and Kinetics L . - H . K u o , Z . SLANINA, a n d T . - C . CHOU 1 1 3 4

Ground Level Be7-Concentration Measurements for Many Years Indicate a Change of Atmospheric Exchange Processies During the Last Decades (In German) S. HARTWIG 1 1 3 9

Dissociation of Slow Polyatomic Molecules by Graz-ing Scattering at Surfaces L . SCHMIDT, A . M . POPOVA, V. V. KOMAROV,

a n d H . JUNGCLAS 1 1 4 4

Photoluminescence Properties of trans-4,4'-Diamino-stilbene in Polyvinyl alcohol) Films A . KAWSKI, A . KUBICKI, J. KAMINSKI,

B. KUKLINSKI, a n d T. NOWOSIELSKI 1 1 5 3

The 3 3S Nuclear Quadrupole Coupling in the Rota-tional Spectrum of Methylthiirane F. LORENZO, J. L . ALONSO, J . - U . GRABOW,

a n d H . DREIZLER 1 0 9 6

Note

Sulphate Rotator Phases in Polarised Light R . TÄRNEBERG 1 1 5 7

Inhal tsverzeichnis XII

N u m b e r 12

Inhaltsverzeichnis Nr. 1 - 1 2 I — XII

Original Communications

Pattern Formation in Force-free Magnetic Fields and Beltrami Flows F. QING -ZEN G 1161

The Critical Amplitude for Bifurcation Points of the Logistic M a p T. TSUCHIYA 1 1 7 0

The "Triptych" Function - Determining the Basins of Attraction of One-Dimensional Maps I . C . MOREIRA 1175

A Diffraction Study of Amorphous Si0 4 0 C 0 2 4 N 0 3 6

H . UHLIG, M . FRIESS, J. DÜRR, R . BELLISSENT,

H . - P . LAMPARTER, F. ALDINGER,

a n d S. STEEB 1 1 7 9

New Unsaturated 1,8-Naphthalimide Dyes for Use in Nematic Liquid Crystals I . K . GRABTSCHEV, I . T. MONEVA, E . WOLARZ,

a n d D . BAUMAN 1 1 8 5

Study of Orientational Order of Liquid Crystal 8 OCB Doped with Perylene-like Dyes by Means of Polar-ized Optical Spectroscopy D . BAUMAN a n d E . WOLARZ 1 1 9 2

Crystal Structure Refinement and Single Crys ta l 8 1 Br Zeeman N Q R Study of KHgBr 3 • H 2 0 H . TERAO, T. OKUDA, S. UYAMA, H . NEGITA,

S h i - q i D o u , H . FUESS, a n d A L . W E I S S ! 1 1 9 7

Dielectric Investigations in Smectic B-Phases S. HEINEMANN, H . KRESSE, S. URBAN,

a n d R . DABROWSKI 1 2 0 3

The Structure of a Zn(II) Metaphosphate Glass. I. The Cation Coordination by a Combination of X-Ray and Neutron Diffraction, EXAFS and X-Ray Anomalous Scattering M . BIONDUCCI, G . LICHERI, A . MUSINU,

G . NAVARRA, G . PICCALUGA, a n d G . PINNA 1 2 0 9

Isolated versus Condensed Anion Structure II; the Influence of the Cations (1,3-propanediammo-nium, 1,4-phenylendiammonium, and «-propylam-monium) on Structures and Phase Transitions of CdBr 4 ~ Salts. A 7 9-8 1Br N Q R and X-ray Structure Analysis H . ISHIHARA, S h i - q i D o u , K . HORIUCHI,

V. G . KRISHNAN, H . PAULUS, H . FUESS,

a n d A L . WEISS+ 1 2 1 6

Association in Molten Salts and Mobility Isotherms showing the Chemla Effect A . KLEMM a n d L . SCHÄFER 1 2 2 9

A Unified Mechanism for the Production of ZEKE States A . HELD, L . Y a . BARANOV, H . L . SELZLE,

a n d E . W. SCHLAG 1 2 3 6

Note

The Rationale of Trouton's Rule and of the Trouton-Hildebrand-Everett Rule S. R . LOGAN 1247

Sachverzeichnis 1249

Autorenverzeichnis 1253