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The top documents tagged [electron correlation]
Jack Smith Center for Environmental, Geotechnical and Applied Science CI-TRAIN HPC Seminar Series December 6, 2011
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Parallelization of Coupled Cluster Code with OpenMP
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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
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Adv chem chapt 9
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A045050107
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Electronic Basis of the Strength of Materials
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pKa
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Molecular Models. Methodology: Modify Wavefunction
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Post Hartree-Fock Methods (Lecture 2) NSF Computational Nanotechnology and Molecular Engineering Pan-American Advanced Studies Institutes (PASI) Workshop
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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
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