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Computational chemistry
Results: 1931

#	Item
911	Page 1 of 31 INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY CHEMISTRY AND HUMAN HEALTH DIVISION MEDICINAL CHEMISTRY SECTION Add to Reading List Source URL: www.iupac.org Language: English - Date: 2013-01-03 10:06:42 Medicinal chemistry Computational chemistry Theoretical chemistry Quantum chemistry Chemical database Quantitative structure–activity relationship Molecule Topological index Drug design Chemistry Science Cheminformatics
912	From Measurements to Models: Cross−Comparison of Measured and Simulated Behavioral States of the Atmosphere Forrest M. Hoffman, William W. Hargrove, Richard T. Mills, A. D. Del Genio*, and Jasna Pittman** Oak Add to Reading List Source URL: www.climatemodeling.org Language: English* - Date: 2007-03-28 13:46:40 Computational science Cluster analysis Data mining Geostatistics Global climate model Climate Atmospheric model Ridge Atmospheric chemistry Statistics Atmospheric sciences Science
913	Microsoft Word - review[removed]rev.doc Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-08-28 17:27:51 Computational chemistry Molecular modelling Quantum chemistry Potential energy surface Ab initio quantum chemistry methods Force field Density functional theory Molecular mechanics Born–Oppenheimer approximation Chemistry Theoretical chemistry Intermolecular forces
914	CCL: an algorithm for the efficient comparison of clusters Add to Reading List Source URL: journals.iucr.org Language: English - Date: 2014-04-05 16:58:19 Molecular dynamics Molecular clusters Cluster Crystal structure Ridge Chemistry Cluster chemistry Computational chemistry
915	Cheminformatics at the EBI: an update Following EMBL-EBI’s acquisition of the Galapagos NV large-scale drug discovery databases last year, Christoph Steinbeck and John Overington have been working hard to integrate the Add to Reading List Source URL: www.embl.fr Language: English - Date: 2015-02-05 08:51:03 Bioinformatics Computational chemistry Genomics Chemical databases ChEMBL Chemistry Development Kit Metabolomics Chemogenomics CDK Science Cheminformatics Computational science
916	Cheminformatics at the EBI: an update Following EMBL-EBI’s acquisition of the Galapagos NV large-scale drug discovery databases last year, Christoph Steinbeck and John Overington have been working hard to integrate the Add to Reading List Source URL: www.embl.it Language: English - Date: 2015-02-05 08:51:03 Bioinformatics Computational chemistry Genomics Chemical databases ChEMBL Chemistry Development Kit Metabolomics Chemogenomics CDK Science Cheminformatics Computational science
917	Microsoft Word - ADFUsersGuide.doc Add to Reading List Source URL: www.scm.com Language: English - Date: 2009-01-20 06:57:38 Computational chemistry Atomic physics Amsterdam Density Functional Computational physics Crystal Time-dependent density functional theory Density functional theory Nuclear magnetic resonance Basis set Chemistry Quantum chemistry Theoretical chemistry
918	Humboldt University of Berlin Add to Reading List Source URL: polymerscience.physik.hu-berlin.de Language: English - Date: 2013-01-15 05:27:00 Science Molecular physics Intermolecular forces Bioinformatics Molecular dynamics Force field Molecular geometry Molecular mechanics Molecule Chemistry Molecular modelling Computational chemistry
919	Book review of Psarros, N. & K. Gavroglu (eds.): Ars Mutandi: Issues in Philosophy and History of Chemistry, Leipzig 1999 Add to Reading List Source URL: hyle.org Language: English - Date: 2013-03-20 19:45:52 Knowledge British people Chemist Falsifiability Karl Popper Philosophy of chemistry Physics Computational chemistry Science Philosophy of science Chemistry
920	Editorial of Models in Chemistry, Part 3: Modeling Complex Systems Add to Reading List Source URL: hyle.org Language: English - Date: 2013-03-20 19:43:58 Ethology Knowledge Systems Computational neuroscience Artificial intelligence Mathematical model Fuzzy logic Self-organization Complex systems Science Cybernetics Systems theory

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