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Theoretical chemistry
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61	CHEM 548 Molecular Electronic Structure Spring 2015 Room: Period: Noyes Laboratory 164 Add to Reading List Source URL: www.scs.illinois.edu Language: English - Date: 2015-01-19 11:13:15 Quantum chemistry Theoretical chemistry Computational chemistry HartreeFock method Crystal Molecular orbital theory Gaussian Density functional theory Many-body problem Size consistency and size extensivity Ab initio quantum chemistry methods MOLCAS
62	A comprehensive theoretical examination of primary dissociation pathways of formic acid J. S. Francisco Citation: J. Chem. Phys. 96, ); doi: View online: http://dx.doi.org View Add to Reading List Source URL: wwwuser.gwdg.de Language: English - Date: 2013-05-10 05:13:10 Alkanoic acids Solvents Isomerism Physical organic chemistry Bond-dissociation energy Formic acid Hydrogen bond Acid Acetic acid Conformational isomerism Chemical reaction
63	Eur. Phys. J. Special Topics 224, 2409–) © EDP Sciences, Springer-Verlag 2015 DOI: epjst/e2015THE EUROPEAN PHYSICAL JOURNAL Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-09-23 02:32:54 Computational chemistry Monte Carlo methods Theoretical chemistry Molecular dynamics Stochastic simulation Transition path sampling Thermodynamic integration Reaction coordinate Dynamical system Importance sampling TPS Phase space
64	THE JOURNAL OF CHEMICAL PHYSICS 122, 204501 共2005兲 Mechanism for singular behavior in vibrational spectra of topologically disordered systems: Short-range attractions Ten-Ming Wu,a兲 S. L. Chang,b兲 and K. H. Tsai Add to Reading List Source URL: tmw.phys.nctu.edu.tw Language: English - Date: 2003-04-15 06:47:41 Potentials Thermodynamics Condensed matter physics Theoretical chemistry Lennard-Jones potential Phonon Van Hove singularity Yukawa potential Radial distribution function
65	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 Quantum chemistry Computational chemistry Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Coupled cluster MOLCAS Configuration interaction Ab initio quantum chemistry methods NWChem
66	1 MODIS Ocean Science Team Algorithm Theoretical Basis Document ATBD 19 Case 2 Chlorophyll a Add to Reading List Source URL: oceancolor.gsfc.nasa.gov Language: English Earth observation satellites Oceanography Physical quantities Colored dissolved organic matter Organic chemistry Water Chlorophyll SeaWiFS Coastal Zone Color Scanner Moderate-resolution imaging spectroradiometer Ocean color Scattering
67	J. Phys. Chem. A 2008, 112, 12510–12517 Microsolvation of Protonated Methane: Structures and Energetics of CH5+(H2)n Alexander Witt,* Sergei D. Ivanov, Harald Forbert, and Dominik Marx Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2008-11-27 03:22:39 Post-HartreeFock methods Theoretical chemistry Computational chemistry Density functional theory Coupled cluster CH5 MllerPlesset perturbation theory MPEG-1 Audio Layer II
68	CHEMISTRY A MOLECULAR APPROACH SOLUTIONS MANUAL 2 CAMASM2PDF-WWRG25-1 \| 46 Page \| File Size 2,333 KB \| 19 Jan, 2016 TABLE OF CONTENT Add to Reading List Source URL: www.ctgermans.org Language: English - Date: 2016-08-18 20:44:34 Chemistry Quantum chemistry Theoretical chemistry
69	From: Taber, K. SChemical Misconceptions - Prevention, Diagnosis and Cure: Theoretical background (Vol. 1). London: Royal Society of Chemistry. Add to Reading List Source URL: camtools.cam.ac.uk Language: English
70	1 ****************************************************** * GAMESS VERSION = 6 MAY 1998 * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:45 Chemistry Nature Quantum chemistry Chemical bonding Theoretical chemistry Computational chemistry Atomic physics Atomic orbital Basis set Integral Molecular orbital CPU time

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