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9786131056642 - Lambert M. Surhone: Semi- Empirical Quantum Chemistry Method - Book
1
Lambert M. Surhone (?):

Semi- Empirical Quantum Chemistry Method (?)

Delivery from: GermanyNew book

ISBN: 9786131056642 (?) or 6131056641, unknown language, New

Lieferzeit: 6 Tage
From Seller/Antiquarian
High Quality Content by WIKIPEDIA articles! Semi-empirical quantum chemistry methods are based on the Hartree-Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree-Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods. Within the framework of Hartree-Fock calculations, some pieces of information (such as two-elecron integrals) are sometimes approximated or completely omitted. In order to correct for this loss, semi-empirical methods are parametrized, that is their results are fitted by a set of parameters, normally in such a way as to produce results that best agree with experimental data, but sometimes to agree with ab initio results.
Seller order number: 57bc3bf4eb75d40930a2c88f
Platform order number Dodax.de: 4b8735e8562fc391a9ae811c9a20c4 9d
Category: Bücher / Naturwissenschaften, Medizin, Informatik & Technik / Chemie
Data from 09/10/2016 23:57h
ISBN (alternative notations): 613-1-05664-1, 978-613-1-05664-2
9786131056642 - Sous la direction de: Lambert M. Surhone, Sous la direction de: Miriam T. Timpledon, Sous la direction de: Susan F. Marseken: Semi- Empirical Quantum Chemistry Method: Quantum Chemistry, Computational Chemistry, Electron Correlation - Book
2
Sous la direction de: Lambert M. Surhone, Sous la direction de: Miriam T. Timpledon, Sous la direction de: Susan F. Marseken (?):

Semi- Empirical Quantum Chemistry Method: Quantum Chemistry, Computational Chemistry, Electron Correlation (2010) (?)

Delivery from: FranceBook is in english languageNew book

ISBN: 9786131056642 (?) or 6131056641, in english, 64 pages, Betascript Publishing, New

46.17 + Shipping: 10.99 = 57.16(without obligation)
Expédition sous 1 à 2 jours ouvrés
From Seller/Antiquarian, M & L France
Broché, Label: Betascript Publishing, Betascript Publishing, Produktgruppe: Book, Publiziert: 2010-07-27, Studio: Betascript Publishing
Platform order number Amazon.fr (Int.): 2uIdGJYrzVNCfhdKK%2FSiW2ZjhI3t NhGdmbS%2BiYrVST8ksHKpHVInHEhE BLXqogaLdXtpcZyKoE6e45RgD%2BUP 4QUy6rZVGjdYZhWsgEdlQKAPS22LtM 74JGSg6WUQM9GxfYh%2FRUGTe5%2Be I%2FfdNAdQrg%3D%3D
Keywords: Analytic, Biochemistry, Catalysis, Chemical Physics, Chromatography, Clinical, Crystallography, Geochemistry, Industrial & Technical, Inorganic, Molecular Chemistry, Organic, Photochemistry, Physical & Theoretical, Polymers & Macromolecules, Safety, Surface Chemistry, Livres anglais et étrangers, Science
Data from 03/04/2017 23:26h
ISBN (alternative notations): 613-1-05664-1, 978-613-1-05664-2

9786131056642

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