Jack Smith Center for Environmental, Geotechnical and Applied Science CI-TRAIN HPC Seminar Series December 6, 2011.
Parallelization of Coupled Cluster Code with OpenMP
Casey P. Kelly, Christopher J. Cramer and Donald G. Truhlar- Accurate Partial Atomic Charges for High-Energy Molecules Using Class IV Charge Models with the MIDI! Basis Set
Adv chem chapt 9
A045050107
X Theoretical Study of the Mechanism of Branching
Electronic Basis of the Strength of Materials
pKa
Molecular Models. Methodology: Modify Wavefunction.
Post Hartree-Fock Methods (Lecture 2) NSF Computational Nanotechnology and Molecular Engineering Pan-American Advanced Studies Institutes (PASI) Workshop.
GRC 2004 Comp Chem Review Russell talks about GRC Computational Chemistry 2004 mol_sims Discussion Group GT Schools of Biology and Chemistry et al July.
