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Ab Initio
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211	587 Index a ab initio calculations 24, 40, 41 Acantkella acuta 21 Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2012-05-22 21:06:00 Organic compounds Carbenes Organometallic chemistry Isocyanide Substitution reactions Multi-component reaction Ugi reaction Amine Mannich reaction Chemistry Organic chemistry Functional groups
212	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
213	TD01 15:00 – 15:17 n* INTERACTION: TOO WEAK BUT CAN COMPETE WITH STRONG HYDROGEN BONDING INTERACTION Santosh K. Singh, Sumit Kumar, Jamuna Vaishnav, Aloke Das Department of Chemistry, Indian Institute of Science Add to Reading List Source URL: www.chem.uni-wuppertal.de Language: English - Date: 2014-09-26 11:54:45 Quantum chemistry Scattering Observational astronomy Vibronic coupling Infrared spectroscopy Franck–Condon principle Ab initio quantum chemistry methods Benzyl Emission spectrum Chemistry Physics Spectroscopy
214	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
215	Type: Title: Renewal “Ab Initio Simulations of Carrier Transports in Organic and Inorganic Nanosystems” Add to Reading List Source URL: www.doeleadershipcomputing.org Language: English - Date: 2014-12-02 08:54:34 University of California Manhattan Project Computer architecture Parallel computing Battelle Memorial Institute INCITE Argonne National Laboratory Supercomputer Lawrence Livermore National Laboratory Computing United States Department of Energy National Laboratories Concurrent computing
216	American Mineralogist, Volume 66, pages[removed],l98I A molecular orbital study of rings in silicatesand siloxanes Bnyex C. CnerouMAKos Department of Geological Sciences Virginia Polytechnic Institute and State Univers Add to Reading List Source URL: rruff.info Language: English - Date: 2007-03-20 18:48:00 Silicate Tetrahedron Zussmanite Siloxane Rings of Saturn Ring strain Ab initio quantum chemistry methods Crystal structure Pabstite Chemistry Excipients Silicon dioxide
217	Microsoft Word - memorandum opinion[removed]Hardy[removed]doc Add to Reading List Source URL: www.courts.state.va.us Language: English - Date: 2014-10-14 09:19:18 Case citation Case law Legal citation Legal research Void Ab initio Probation Circuit court Law Contract law Legal terms
218	SSH2S[removed]Fuel Cell Coupled Solid State Hydrogen Storage Tank Marcello Baricco Add to Reading List Source URL: www.fch-ju.eu Language: English - Date: 2014-09-28 16:54:26 Hydrogen technologies Hydrogen economy Emerging technologies Energy storage Hydrogen storage Surface chemistry Hydrogen Energy density Ab initio Chemistry Energy Technology
219	397 Index a ab initio approach 360 Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2014-08-12 21:03:24 Arabidopsis thaliana NANS Matrix-assisted laser desorption/ionization ATP-binding cassette transporter Biology Chemistry Metabolism
220	Diploma Programme Programme du diplôme Programa del Diploma Spanish ab initio Language-specific syllabus Add to Reading List Source URL: www.holyheart.ca Language: Spanish - Date: 2013-09-16 18:44:11