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Computational and Theoretical Chemistry
Results: 190

#	Item
131	THE UNIVERSITY OF BRITISH COLUMBIA SYNERGY » JOURNAL OF UBC SCIENCE ISSUE 1\|2006 2 Words from the Dean 3 Modelling Flux and Flow – Mathematical Analysis of Physical Processes Add to Reading List Source URL: science.ubc.ca Language: English - Date: 2008-10-15 19:33:54 Matter Neural networks Neuroscience Neural coding Gemstones Neural oscillation Beryl Crystallography Mathematical and theoretical biology Science Chemistry Computational neuroscience
132	High Precision Hy-CI Variational Calculations for the Ground State of Neutral Helium and Heliumlike ions James S. Sims National Institute of Standards and Technology Gaithersburg, MD[removed] Add to Reading List Source URL: math.nist.gov Language: English - Date: 2004-04-05 12:51:20 Theoretical chemistry Quantum chemistry Configuration interaction Basis set Electron Variational method Wave function Chemistry Physics Computational chemistry
133	PHYSICAL REVIEW A 80, 052507 共2009兲 Hylleraas-configuration-interaction study of the 2 2S ground state of neutral lithium and the first five excited 2S states James S. Sims National Institute of Standards and Techno Add to Reading List Source URL: math.nist.gov Language: English - Date: 2009-11-20 13:08:29 Atomic physics Theoretical chemistry Chemical bonding Atomic orbital Electron configuration Configuration interaction Basis set Chemistry Quantum chemistry Computational chemistry
134	Uncertainties in calculations of low-energy resonant electron collisions with diatomic molecules Karel Houfek Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešov Add to Reading List Source URL: www.cfa.harvard.edu Language: English - Date: 2014-06-11 11:54:10 Matter Molecule Electron Computational chemistry Spectroscopy Physics Chemistry Quantum electrodynamics
135	Copyright © 2006 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: www.molecularassembler.com Language: English - Date: 2006-04-13 06:24:01 Mechanosynthesis Computational chemistry Molecular dynamics Bond length Carbon Silicon carbide Dimer Chemistry Nanotechnology Chemical synthesis
136	Halogenated Hydrocarbons and Halomethanediols: A Study of the Atmospheric Implications of Proposed Replacements for Chlorofluorocarbons (CFCs) Mónica Martínez-Avilés Add to Reading List Source URL: gcep.host.ualr.edu Language: English - Date: 2007-08-01 17:38:51 Ab initio quantum chemistry methods Ab initio Hartree–Fock method Force field Møller–Plesset perturbation theory Ozone Molecular dynamics Crystal Chemistry Computational chemistry Theoretical chemistry
137	J. Phys. Chem. A 2007, 111, [removed]Ab Initio Thermochemistry of the Hydrogenation of Hydrocarbon Radicals Using Silicon-, Germanium-, Tin-, and Lead-Substituted Methane and Isobutane Add to Reading List Source URL: www.molecularassembler.com Language: English - Date: 2007-09-06 11:15:59 Theoretical chemistry Chemical kinetics Organic chemistry Basis set Bond-dissociation energy Carbon–hydrogen bond Reaction rate Hydrogen bond Metalloid Chemistry Chemical bonding Computational chemistry
138	PHYSICAL REVIEW B 85, [removed]Electron dynamics of shocked polyethylene crystal Patrick L. Theofanis, Andres Jaramillo-Botero,* and William A. Goddard III† California Institute of Technology, Division of Chemist Add to Reading List Source URL: www.psaap.caltech.edu Language: English - Date: 2012-06-04 15:31:39 Atomic physics Molecular physics Computational chemistry Theoretical chemistry Electron Electrical resistivity and conductivity Energy level Plasma ReaxFF Chemistry Physics Quantum chemistry
139	Simbios Summary Simbios is a National Center for Biomedical Computing (NCBC). The NCBC program is part of the NIH Roadmap for Medical Research, and the National Center was established in response to RFA-RM[removed]http:/ Add to Reading List Source URL: simbios.stanford.edu Language: English - Date: 2013-01-16 19:16:22 Molecular modelling Applied mathematics Chemistry Mathematical and theoretical biology Computational biology Molecular dynamics Biomedical Computation Review Simulation Physics Abstraction Layer Science Computational chemistry Bioengineering
140	Simbios Summary Simbios is a National Center for Biomedical Computing (NCBC). The NCBC program is part of the NIH Roadmap for Medical Research, and the National Center was established in response to RFA-RM[removed]_http: Add to Reading List Source URL: simbios.stanford.edu Language: English - Date: 2013-01-16 19:15:24 Molecular modelling Computational science Bioengineering Bioinformatics Mathematical and theoretical biology Molecular dynamics Simulation Physics Abstraction Layer Biophysics Science Chemistry Computational chemistry

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