Ab Initio

Results: 339



#Item
211Organic compounds / Carbenes / Organometallic chemistry / Isocyanide / Substitution reactions / Multi-component reaction / Ugi reaction / Amine / Mannich reaction / Chemistry / Organic chemistry / Functional groups

587 Index a ab initio calculations 24, 40, 41 Acantkella acuta 21

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Source URL: www.wiley-vch.de

Language: English - Date: 2012-05-22 21:06:00
212Bosons / Quantum electrodynamics / Theoretical chemistry / Quantum mechanics / Electron / Phonon / Spectroscopy / Potential energy surface / Vibronic coupling / Physics / Chemistry / Quantum chemistry

407 Index a ab initio multiple spawning (AIMS) method 114f.

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Source URL: www.wiley-vch.de

Language: English - Date: 2009-08-26 21:03:07
213Quantum chemistry / Scattering / Observational astronomy / Vibronic coupling / Infrared spectroscopy / Franck–Condon principle / Ab initio quantum chemistry methods / Benzyl / Emission spectrum / Chemistry / Physics / Spectroscopy

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

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Source URL: www.chem.uni-wuppertal.de

Language: English - Date: 2014-09-26 11:54:45
214Theoretical chemistry / Computational chemistry / Quantum chemistry / Franck–Condon principle / ACES / Infrared spectroscopy / Ab initio quantum chemistry methods / Energy level / MOLPRO / Chemistry / Spectroscopy / Molecular physics

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

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Source URL: www.chem.uni-wuppertal.de

Language: English - Date: 2014-09-26 11:54:46
215University 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

Type: Title: Renewal “Ab Initio Simulations of Carrier Transports in Organic and Inorganic Nanosystems”

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Source URL: www.doeleadershipcomputing.org

Language: English - Date: 2014-12-02 08:54:34
216Silicate / Tetrahedron / Zussmanite / Siloxane / Rings of Saturn / Ring strain / Ab initio quantum chemistry methods / Crystal structure / Pabstite / Chemistry / Excipients / Silicon dioxide

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

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Source URL: rruff.info

Language: English - Date: 2007-03-20 18:48:00
217Case citation / Case law / Legal citation / Legal research / Void / Ab initio / Probation / Circuit court / Law / Contract law / Legal terms

Microsoft Word - memorandum opinion[removed]Hardy[removed]doc

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Source URL: www.courts.state.va.us

Language: English - Date: 2014-10-14 09:19:18
218Hydrogen technologies / Hydrogen economy / Emerging technologies / Energy storage / Hydrogen storage / Surface chemistry / Hydrogen / Energy density / Ab initio / Chemistry / Energy / Technology

SSH2S[removed]Fuel Cell Coupled Solid State Hydrogen Storage Tank Marcello Baricco

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Source URL: www.fch-ju.eu

Language: English - Date: 2014-09-28 16:54:26
219Arabidopsis thaliana / NANS / Matrix-assisted laser desorption/ionization / ATP-binding cassette transporter / Biology / Chemistry / Metabolism

397 Index a ab initio approach 360

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Source URL: www.wiley-vch.de

Language: English - Date: 2014-08-12 21:03:24
220

Diploma Programme Programme du diplôme Programa del Diploma Spanish ab initio Language-specific syllabus

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Source URL: www.holyheart.ca

Language: Spanish - Date: 2013-09-16 18:44:11
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