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Ab initio quantum chemistry methods
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11	The Quantum Chemistry Group (Hättig Research Group) Our group is working on a number of projects concerned with the accurate description of interactions between molecules and of molecules with surfaces, solvents and ex Add to Reading List Source URL: www.theochem.ruhr-uni-bochum.de Language: English - Date: 2015-07-02 11:19:29 Theoretical chemistry Computational chemistry Quantum chemistry Ab initio quantum chemistry methods TURBOMOLE MOLPRO Intermolecular force Crystal HartreeFock method Spartan PQS
12	PNPI school 2006 On the chemical identification of E112: is E112 a relatively inert element? Precise calculations of E112 compounds. Titov A.V., Mosyagin N.S., Petrov A.N., Isaev T.A., PNPI RAS, Gatchina Add to Reading List Source URL: dbserv.pnpi.spb.ru Language: English - Date: 2006-05-26 03:13:17 Theoretical chemistry Computational chemistry Ab initio quantum chemistry methods
13	Curriculum Vitae Hendrik J. Monkhorst Quantum Theory project and Physics Department University of Florida Gainesville FL32611-8435 Add to Reading List Source URL: www.qtp.ufl.edu Language: English - Date: 2006-08-18 00:00:00 Quantum chemistry Crystal Hartree–Fock method Ab initio quantum chemistry methods Physical Review Chemistry Computational chemistry Theoretical chemistry
14	Microsoft Word - Harris.doc Add to Reading List Source URL: www.qtp.ufl.edu Language: English - Date: 2006-08-18 00:00:00 Theoretical chemistry Crystal Quantum chemistry Hartree–Fock method ACES Ab initio quantum chemistry methods Anthony E. Siegman ReaxFF Chemistry Science Computational chemistry
15	IMPRS Block Course „Complex Surfaces in Materials Science“ October 4 – 5, and October 8-10, 2012 ThursdayPhys.Chem.-Department at the FHI Add to Reading List Source URL: www.imprs-cs.mpg.de Language: English - Date: 2012-09-21 05:17:24 Cluster chemistry ACES Inorganic chemistry Ab initio quantum chemistry methods Spectroscopy Chemistry Science Theoretical chemistry
16	Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION Add to Reading List Source URL: old.iupac.org Language: English - Date: 2004-06-03 11:40:20 Computational chemistry Hartree–Fock method Crystal Molecular orbital theory Ab initio quantum chemistry methods Electronic correlation Coupled cluster Molecular orbital Full configuration interaction Chemistry Quantum chemistry Theoretical chemistry
17	1064 Goldschmidt Conference Abstracts Formation of a layered FeIII (hydr)oxide intercalated with Add to Reading List Source URL: goldschmidt.info Language: English - Date: 2011-09-22 13:35:03 Molecular modelling Actinide Periodic table Ab initio quantum chemistry methods Hydroxide Density functional theory Molecular dynamics Oxide Chemistry Computational chemistry Theoretical chemistry
18	Microsoft Word - bericht 2007_teil1.doc Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:44:33 Ab initio quantum chemistry methods Molecular modelling Semi-empirical quantum chemistry method Coupled cluster MNDO Ab initio Hypervalent molecule Molecular dynamics Density functional theory Chemistry Computational chemistry Theoretical chemistry
19	Goldschmidt 2000 September 3rd–8th, 2000 Oxford, UK. Journal of Conference Abstracts Volume 5(2), 138 Add to Reading List Source URL: www.the-conference.com Language: English - Date: 2009-11-05 06:12:03 Theoretical chemistry Mineral Chemistry Computational chemistry Ab initio quantum chemistry methods
20	Dalton Transactions View Article Online PAPER Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2013-03-06 12:48:07 Density functional theory Crystal Ab initio quantum chemistry methods Møller–Plesset perturbation theory Design for testing Hybrid functional Dalton Chemistry Theoretical chemistry Computational chemistry

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