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Theoretical chemistry
Results: 969

#	Item
911	CONSERVATION LAWS AND THE QUANTUM THEORY OF TRANSPORT: THE EARLY DAYS Gordon Baym Add to Reading List Source URL: jfi.uchicago.edu Language: English - Date: 2004-08-26 18:20:23 Computational chemistry Atomic physics Quantum chemistry Theoretical chemistry Hartree–Fock method Statistical mechanics Chemistry Physics Science
912	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER 15 Add to Reading List Source URL: www.tcm.phy.cam.ac.uk Language: English - Date: 2005-04-23 06:08:54 Computational chemistry Theoretical chemistry Atomic physics Quantum electrodynamics Hartree–Fock method Electron Virial theorem Multiplicity Basis set Chemistry Physics Quantum chemistry
913	Theoretical Study of the Kolbe-Schmitt Reaction Mechanism Zoran Markovi´c, Johan P. Engelbrecht, and Svetlana Markovi´c Department of Chemistry and Physics, Technikon Pretoria, Add to Reading List Source URL: www.znaturforsch.com Language: English - Date: 2002-10-26 16:25:40 Kolbe–Schmitt reaction Phenol Chemical reaction Ether 4-Hydroxybenzoic acid Electrophile Carboxylic acid Chemistry Organic chemistry Functional groups
914	Curriculum Vitae Trygve Helgaker Name: Add to Reading List Source URL: folk.uio.no Language: English - Date: 2011-07-09 13:19:16 Centre for Theoretical and Computational Chemistry Trygve Helgaker Dalton University of Oslo Chemist ACES Quantum chemistry Computational chemistry Chemistry Theoretical chemistry Science
915	MOLECULAR PHYSICS, 2000, VOL. 98, NO. 16, 1043 ± 1050 Reminiscences at the end of the Century Add to Reading List Source URL: www.vuse.vanderbilt.edu Language: English - Date: 2000-09-24 12:44:22 Theoretical chemistry Douglas Hartree Computational chemistry Quantum chemistry Charlotte Froese Fischer Bertha Swirles John C. Slater Density functional theory Ralph H. Fowler Chemistry Science Fellows of the Royal Society
916	9 OCTOBE R[removed]Scientific Background on the Nobel Prize in Chemistry 2013 Add to Reading List Source URL: www.nobelprize.org Language: English - Date: 2013-10-16 05:15:34 Computational chemistry Intermolecular forces Molecular physics Theoretical chemistry Arieh Warshel Force field Quantum chemistry Molecular dynamics Quantum mechanics Chemistry Science Molecular modelling
917	American Mineralogist, Volume 78, pages[removed], 1993 A theoretical study of the molecular basis of the Al avoidancerule and of the Add to Reading List Source URL: www.minsocam.org Language: English - Date: 2007-08-30 10:45:21 Ab initio quantum chemistry methods Computational chemistry Theoretical chemistry Silicon dioxide Isotopes of aluminium Silicate minerals International System of Units Disiloxane Chemical shift Chemistry Nuclear magnetic resonance Spectroscopy
918	12 SCIENTIFIC HIGHLIGHT OF THE MONTH Add to Reading List Source URL: www.psi-k.org Language: English - Date: 2013-07-08 20:02:03 Computational chemistry Condensed matter physics Chemical bonding Theoretical chemistry Wannier function Electronic band structure Crystal Bloch wave Molecular orbital Chemistry Physics Quantum chemistry
919	Electronic Band Structure Calculations Stefan Hollos Dec 1, 1998 Add to Reading List Source URL: www.exstrom.com Language: English - Date: 2007-08-07 18:20:50 Atomic physics Theoretical chemistry Quantum mechanics Computational chemistry Schrödinger equation Variational method Electronic band structure Born–Oppenheimer approximation Atomic orbital Physics Chemistry Quantum chemistry
920	Input Description 2-1 Add to Reading List Source URL: www.msg.chem.iastate.edu Language: English - Date: 2013-06-18 13:15:37 Quantum chemistry Fragment molecular orbital GAMESS Coupled cluster Electronic correlation Ab initio quantum chemistry methods Multi-configurational self-consistent field Møller–Plesset perturbation theory Hartree–Fock method Chemistry Computational chemistry Theoretical chemistry

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