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Semi- Empirical Quantum Chemistry Method: Quantum Chemistry, Computational Chemistry,
Electron Correlation
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9786131056642 - Lambert M. Surhone: Semi- Empirical Quantum Chemistry Method
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Lambert M. Surhone (?):

Semi- Empirical Quantum Chemistry Method (?)

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

PKR 0 ( 21.72)¹(free shipping, without obligation)
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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.
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
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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) (?)

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

PKR 0 ( 46.17)¹ + Shipping: PKR 0 ( 10.99)¹ = PKR 0 ( 57.16)¹(without obligation)
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Broché, Label: Betascript Publishing, Betascript Publishing, Produktgruppe: Book, Publiziert: 2010-07-27, Studio: Betascript Publishing