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Computational chemistry
Results: 1931

#	Item
321	Packschies et al. Journal of Cheminformatics 2013, 5(Suppl 1):O3 http://www.jcheminf.com/content/5/S1/O3 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Molecular modelling Technical University of Dortmund University of Tübingen Dresden University of Technology E-Science Science Academia Technology Cyberinfrastructure Computational chemistry Molecular dynamics
322	Screened Coulomb Hybrid Density Functionals Add to Reading List Source URL: scuseria.rice.edu Language: English - Date: 2004-04-25 20:26:47 Quantum chemistry Atomic physics Density functional theory Hybrid functional Computational chemistry Electronic band structure Hartree–Fock method Ionization energy Chemistry Physics Theoretical chemistry
323	Nagoya University Theoretical Chemistry Colloquium July 19, 2013 (Fri), 10:00-11:00 RCMS, 2nd floor, Chemistry Gallery Add to Reading List Source URL: www.rcms.nagoya-u.ac.jp Language: English - Date: 2015-04-17 00:31:51 Nature Computational chemistry Computational science Chemistry Science Theoretical chemistry
324	Journal of Low Temperature Physics, Vol. 139, Nos. 5/6, June 2005 (© 2005) DOI: s10909Isotopic Effects in Solid LiH and LiD at Very Low Temperature C. Cazorla and J. Boronat Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-02-11 05:05:17 Computational chemistry Lithium compounds Metal hydrides Quasiparticles Lithium hydride Variational Monte Carlo Quantum mechanics Phonon Electron Chemistry Physics Quantum chemistry
325	Pure & Appl. Chem., Vol. 70, No. 10, pp,1998, Printed i n Great BritainIUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY Add to Reading List Source URL: old.iupac.org Language: English - Date: 2004-06-03 12:13:38 Computational chemistry Theoretical chemistry Journal of Medicinal Chemistry International Union of Pure and Applied Chemistry Reproducibility Algorithm Monte Carlo method Science Chemistry Chemical nomenclature
326	CURRICULUM VITÆ John Henry Maddocks Born January 7, 1958. Citizen of the United Kingdom. Add to Reading List Source URL: lcvmwww.epfl.ch Language: English - Date: 2013-10-25 10:36:50 Molecular modelling Dynamical systems Structural analysis Computational chemistry Molecular dynamics Hamiltonian mechanics Buckling Physics Chemistry Mechanics
327	Göller Journal of Cheminformatics 2013, 5(Suppl 1):O14 http://www.jcheminf.com/content/5/S1/O14 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Chemistry Cheminformatics Multivariate statistics Drug discovery Principal component analysis Quantitative structure–activity relationship Computational chemistry Science Statistics
328	Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits Add to Reading List Source URL: www.jcheminf.com Language: English Chemistry Information science Computational chemistry Bioinformatics Chemical database Virtual screening Chemical similarity Cluster chemistry OpenEye Scientific Software Science Cheminformatics Drug discovery
329	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
330	http://oasys.acs.org/acs/238nm/comp/staff/program.cgi?passwo... COMP DIVISION OF COMPUTERS IN CHEMISTRY Final Program, 238th ACS National Meeting, Washington, DC, August 16-20, 2009 Add to Reading List Source URL: oldwww.acscomp.org Language: English - Date: 2011-07-01 06:30:49 Molecular modelling Molecular dynamics Force field Water model Crystal Chemistry Computational chemistry Science

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