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Ab Initio
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41	JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBERSEPTEMBER 2003 Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2003-09-16 07:19:22 Theoretical chemistry Gaseous signaling molecules Refrigerants Inorganic solvents Industrial gases Hydrogen bond Water dimer Ab initio quantum chemistry methods Ammonia Quantum chemistry Hydrogen Crystal
42	APPENDIX 2 List of selected sites at which QMS is carried out and prominent scientists.(EUROPE and AFRICA). Same order as in Section 3. Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2010-02-28 06:25:03 Chemistry Theoretical chemistry Computational chemistry Molecular modelling Quantum chemistry Spartan Molecular dynamics Chemical physics Ab initio quantum chemistry methods Inorganic chemistry TURBOMOLE Molecule
43	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
44	Cat-Book_5.5x8.5-Left_Saddle_ALL Add to Reading List Source URL: xfair.io Language: English - Date: 2016-02-03 11:54:42 Oracle Corporation Redwood City California Akamai Technologies Massachusetts Institute of Technology SAP SE Facebook Ab Initio Software
45	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
46	Structure of 9C from the d(10C,t)9C Reaction and the Reliability of Ab-Initio Transfer Form Factors Scott Marley Western Michigan University Nuclear Structure 2012 Add to Reading List Source URL: ns12.anl.gov Language: English - Date: 2012-08-14 10:16:18
47	Turbomole Program Package for ab initio Electronic Structure Calculations USER’S MANUAL Add to Reading List Source URL: www.turbomole-gmbh.com Language: English - Date: 2013-11-09 15:44:58
48	THE JOURNAL OF CHEMICAL PHYSICS 134, Ab initio calculation of the potential of mean force for dissociation of aqueous Ca–Cl Jeff Timko, Alexandra De Castro, and Serdar Kuyucaka) School of Physics, Univer Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2011-06-24 22:46:32
49	Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations Jeff Timko and Serdar Kuyucak Citation: J. Chem. Phys. 137, ); doi: View onlin Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2012-12-10 18:56:32
50	2888 J. Chem. Theory Comput. 2010, 6, 2888–2895 Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2011-02-27 21:05:33

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