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Theoretical chemistry
Results: 969

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531	The project brings together eleven partners from industry and Dr. Nicholas Winzer academia and with expertise in the fields of theoretical modeling Add to Reading List Source URL: www.iwm.fraunhofer.de Language: English - Date: 2013-03-05 06:02:07 Matter Hydrogen technologies Hydrogen Hydrogen embrittlement Emerging technologies Embrittlement Multiscale modeling Chemistry Corrosion Materials science
532	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
533	Quack_High-Resolution_7:279 x 216 PPC Add to Reading List Source URL: media.wiley.com Language: English - Date: 2014-10-17 07:06:44 Science Nature Academia Theoretical chemistry Computational chemistry Chemist
534	407 Index a ab initio multiple spawning (AIMS) method 114f. Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2009-08-26 21:03:07 Bosons Quantum electrodynamics Theoretical chemistry Quantum mechanics Electron Phonon Spectroscopy Potential energy surface Vibronic coupling Physics Chemistry Quantum chemistry
535	<4D6963726F736F667420576F7264202D20BBF9BDF0CEAFA1B6CFEEC4BFD6B8C4CFA1B7313330343236> Add to Reading List Source URL: www.nsfc.gov.cn Language: English - Date: 2013-06-17 03:54:35 Computational chemistry Theoretical chemistry Natural science Chemistry Quantum computer Chemist Physical chemistry Royal Medal Hughes Medal Theoretical computer science Applied mathematics Science
536	Fullerene spheres can be used to slide in the nanoworld Add to Reading List Source URL: phys.org Language: English - Date: 2015-01-15 03:33:58 Trieste Science Fullerene Friction Bearing Buckminsterfullerene International School for Advanced Studies International Centre for Theoretical Physics Ball bearing Physics Chemistry Tribology
537	WC01 9:00 – 9:17 A HYBRID FITTING PROGRAM FOR METHYLAMINE-LIKE MOLECULES WITH TWO LARGE-AMPLITUDE MOTIONS Jon T. Hougen1, Isabelle Kleiner2 1 Sensor Science Division, NIST, Gaithersburg, MD[removed], USA Add to Reading List Source URL: www.chem.uni-wuppertal.de Language: English - Date: 2014-09-26 11:54:45 Molecular physics Energy level Theoretical chemistry Diatomic molecule Giacinto Scoles Crystal Chemistry Quantum chemistry Spectroscopy
538	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
539	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
540	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

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