Ab Initio

Results: 339



#Item
331Quantum chemistry / Fragment molecular orbital / GAMESS / Coupled cluster / Electronic correlation / Ab initio quantum chemistry methods / Multi-configurational self-consistent field / Møller–Plesset perturbation theory / Hartree–Fock method / Chemistry / Computational chemistry / Theoretical chemistry

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Source URL: www.msg.chem.iastate.edu

Language: English - Date: 2013-06-18 13:15:37
332Theoretical chemistry / Molecular physics / Quantum mechanics / Computational chemistry / Density functional theory / Electron configuration / Electron / Schrödinger equation / Ab initio quantum chemistry methods / Chemistry / Physics / Quantum chemistry

E LECTRONIC STRUCTURE STUDIES AND METHOD DEVELOPMENT FOR COMPLEX MATERIALS

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Source URL: www.diva-portal.org

Language: English - Date: 2013-02-19 04:47:34
333Science / Computational chemistry / Roberto Car / Car–Parrinello molecular dynamics / Car–Parrinello method / Molecular dynamics / International School for Advanced Studies / Ab initio quantum chemistry methods / Ab initio / Chemistry / Physics / Density functional theory

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Source URL: users.ictp.it

Language: English - Date: 2007-06-20 07:44:50
334Computational chemistry / Theoretical chemistry / Atomic physics / Hartree–Fock method / Electronic correlation / Ab initio quantum chemistry methods / Density functional theory / Atomic orbital / Helium atom / Chemistry / Physics / Quantum chemistry

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Source URL: amods.kaeri.re.kr

Language: English - Date: 2000-09-02 01:12:05
335Computational chemistry / Hybrid functional / Ab initio quantum chemistry methods / Hartree–Fock method / Quantum chemistry / Crystal / Axel D. Becke / Chemistry / Theoretical chemistry / Density functional theory

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Source URL: media.iupac.org

Language: English - Date: 2004-06-03 12:14:21
336Adjustment / Abandonment / Ab initio / Nuisance / Void / Lien / Property / Deforce / Immediately / Legal terms / Law / Summary

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Source URL: www.citizenlaw.com

Language: English - Date: 2003-07-07 21:53:39
337Chlorides / Transition metals / Ab initio quantum chemistry methods / Computational chemistry / Theoretical chemistry / Niobium / Emission spectrum / Chemistry / Physics / Spectroscopy

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Source URL: bernath.uwaterloo.ca

Language: English - Date: 2004-11-02 17:55:59
338Scattering / Computational chemistry / Theoretical chemistry / Atomic physics / Silane / Ab initio quantum chemistry methods / Emission spectrum / Chemical vapor deposition / Energy level / Chemistry / Physics / Spectroscopy

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Source URL: bernath.uwaterloo.ca

Language: English - Date: 2000-10-13 16:44:34
339MOPAC / Semi-empirical quantum chemistry method / MNDO / Chemical element / Ab initio quantum chemistry methods / SAM1 / AM1* / Chemistry / PM3 / Austin Model 1

Microsoft Word - MOPAC2009 brochure draft1.doc

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Source URL: openmopac.net

Language: English - Date: 2008-11-02 19:39:36
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