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Ab initio quantum chemistry methods
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41	Chemical Physics[removed]–77 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:48:56 Theoretical chemistry Quantum chemistry Time-dependent density functional theory Density functional theory Molecular Hamiltonian Electronic band structure Basis set Ab initio quantum chemistry methods Molecular dynamics Chemistry Physics Computational chemistry
42	More quantum chemistry with BOINC Martin Korth Theory of Condensed Matter group, Cavendish Laboratory University of Cambridge The 6th BOINC Workshop — [removed] Add to Reading List Source URL: boinc.berkeley.edu Language: English - Date: 2010-09-02 04:26:29 Theoretical chemistry QM/MM Hartree–Fock method Ab initio quantum chemistry methods Density functional theory Quantum chemistry ONIOM Chemistry Computational chemistry Science
43	 M O P A C 2009 the next generation quantum chemistry tool for property prediction Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2010-10-21 16:13:14 MOPAC Semi-empirical quantum chemistry method MNDO Chemical element Gaussian Ab initio quantum chemistry methods Crystal SAM1 AMPAC Chemistry PM3 Austin Model 1
44	Additional background material on the Nobel Prize in Chemistry 1998 The Royal Swedish Academy of Sciences has decided to award the 1998 Nobel Prize in Chemistry with one half to Professor WALTER KOHN, University of Calif Add to Reading List Source URL: www.nobelprize.org Language: English - Date: 2012-05-11 07:22:51 Quantum chemistry Hartree–Fock method Crystal Density functional theory Ab initio quantum chemistry methods John Pople Semi-empirical quantum chemistry method Gaussian Walter Kohn Chemistry Theoretical chemistry Computational chemistry
45	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:50 Theoretical chemistry Density functional theory Molecular modelling Quantum chemistry Molecular dynamics CP2K Ab initio quantum chemistry methods Force field Michele Parrinello Chemistry Science Computational chemistry
46	A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Miquel Sola`, Jordi Mestres, Ramon Carbo´, and Miquel Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:54:16 Quantum chemistry Atomic physics Quadratic configuration interaction Ab initio quantum chemistry methods Hartree–Fock method Post-Hartree–Fock Gaussian Density functional theory Dirac Chemistry Computational chemistry Theoretical chemistry
47	JOURNAL OF CHEMICAL PHYSICS VOLUME 118, NUMBER 2 8 JANUARY 2003 Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:36:35 Møller–Plesset perturbation theory Ab initio quantum chemistry methods Quantum chemistry composite methods Computational chemistry Theoretical chemistry Basis set
48	JOURNAL OF CHEMICAL PHYSICS VOLUME 117, NUMBER[removed]DECEMBER 2002 Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:27:51 Molecular vibration 2U Conjugated system Ab initio quantum chemistry methods Chemistry Science Spectroscopy
49	Microsoft Word - word_zAyHHKTMtPFXPJ5C_Fz1.docx Add to Reading List Source URL: physics.bk.psu.edu Language: English - Date: 2014-06-20 11:20:45 Chemical bonding Density functional theory Ab initio quantum chemistry methods Hydrogen storage Hydrogen Superatom Molecular dynamics Chemical bond Diatomic molecule Chemistry Cluster chemistry Computational chemistry
50	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:51 Molecular modelling Computational chemistry Theoretical chemistry CP2K Molecular dynamics Car–Parrinello method Force field Michele Parrinello Ab initio quantum chemistry methods Chemistry Science Density functional theory

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