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Computational and Theoretical Chemistry
Results: 190

#	Item
111	1 1 Introduction Hans-Dieter Meyer, Fabien Gatti and Graham A. Worth Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2009-08-26 21:03:07 Quantum chemistry Theoretical chemistry Computational chemistry Molecular physics Quantum mechanics Molecular dynamics Schrödinger equation Born–Oppenheimer approximation Introduction to quantum mechanics Chemistry Physics Science
112	FB01 15:00 – 15:17 ULTRA-SENSITIVE AMMONIA PROBES OF A VARIABLE PROTON-TOELECTRON MASS RATIO Vladimir Spirko Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic,Flemingovo nam. 2, Add to Reading List Source URL: www.chem.uni-wuppertal.de Language: English - Date: 2014-09-26 11:54:45 Spectroscopy Theoretical chemistry Chemical properties Infrared spectroscopy Computational chemistry Energy level ACES Diatomic molecule Eckart conditions Chemistry Quantum chemistry Molecular physics
113	SB01 9:00 – 9:17 Ab initio CALCULATIONS FOR THE GROUP 2 M2O HYPERMETALLIC OXIDES B. Ostojić1, Per Jensen2, P. A. Schwerdtfeger3, and P. R. Bunker4 1 Institute of Chemistry, Technology and Metallurgy, University of Be Add to Reading List Source URL: www.chem.uni-wuppertal.de Language: English - Date: 2014-09-26 11:54:46 Theoretical chemistry Computational chemistry Quantum chemistry Franck–Condon principle ACES Infrared spectroscopy Ab initio quantum chemistry methods Energy level MOLPRO Chemistry Spectroscopy Molecular physics
114	NORTHERN REGION Pharmaceutical Design and Simulation Laboratory School of Pharmaceutical Sciences Universiti Sains Malaysia (USM) Specialises in computational chemistry, rational drug design Add to Reading List Source URL: www.biotechcorp.com.my Language: English - Date: 2013-12-02 11:47:20 Theoretical chemistry Drug discovery Medicinal chemistry Computational chemistry Protein structure Docking AutoDock CHARMM GROMACS Chemistry Science Molecular modelling
115	DEPARTMENT OF ENERGY COMPUTATIONAL SCIENCE GRADUATE FELLOWSHIP DEIXIS THE ANNUAL Add to Reading List Source URL: www.krellinst.org Language: English - Date: 2014-10-21 12:22:13 Office of Scientific and Technical Information Computational chemistry Theoretical chemistry Computational science
116	i Wolfgang Schattke and Ricardo Díez Muiño: for Atoms, Molecules, Clusters, and Solids — [removed] — page 273 — le-tex i Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2013-10-24 23:12:26 Chemical bonding Atomic physics Computational chemistry Theoretical chemistry Electronic correlation Electronic band structure Hartree–Fock method Electron Density functional theory Chemistry Physics Quantum chemistry
117	University of Illinois at Urbana-Champaign Beckman Institute for Advanced Science and Technology NIH Resource for Macromolecular Modeling and Bioinformatics Theoretical and Computational Biophysics Group VMD Quantum Che Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2012-03-18 20:35:21 Atomic orbital Energy level HOMO/LUMO Electron configuration GAMESS Chemical bond Chemistry Quantum chemistry Molecular orbital
118	New Approaches for High-Throughput Identification and Characterization of Protein Complexes Center for Molecular and Cellular Systems Michelle V. Buchanan H. Steven Wiley, Frank W. Larimer Add to Reading List Source URL: mippi.ornl.gov Language: English - Date: 2007-02-09 12:31:50 Molecular biology Bioengineering Bioinformatics Computational biology Mathematical and theoretical biology Peptide Gene expression New South Wales Systems Biology Initiative Chemical biology Biology Science Chemistry
119	New Approaches for High-Throughput Identification and Characterization of Protein Complexes Center for Molecular and Cellular Systems Michelle V. Buchanan H. Steven Wiley, Frank W. Larimer Add to Reading List Source URL: mippi.ornl.gov Language: English - Date: 2007-02-09 12:31:50 Molecular biology Mass spectrometry Bioinformatics Computational biology Mathematical and theoretical biology Peptide Multiprotein complex Gene expression Chemical biology Biology Science Chemistry
120	Program Report http://oasys.acs.org/acs/230nm/comp/programs/programreport.cgi?p... Emma M. Ortega, Jose L. Guinon, Jose Garcia-Anton, and Valentin Perez-Herranz, Departamento de Ingenieria Quimica y Nuclear, Universidad Add to Reading List Source URL: oldwww.acscomp.org Language: English - Date: 2011-07-01 06:30:52 Theoretical chemistry Molecular modelling Force field Molecular dynamics Docking Crystal Drug design NWChem Ab initio quantum chemistry methods Chemistry Science Computational chemistry

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