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2010, ISBN: 9048177995
[EAN: 9789048177998], New book, [SC: 9.59], [PU: Springer Netherlands Nov 2010], MECHANICS; QUANTUMMECHANICS; COORDINATIONCOMPOUNDS; DEDUCTIVEMOLECULARMECHANICS; HYBRIDPERSPECTIVES; QUANT… Plus…
Tchougréeff, Andrei L.:
Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics, Band 17) - Livres de poche2010, ISBN: 9789048177998
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 2008, 364 Seiten, Publiziert: 2010-11-22T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 6 black & white tables, 1.1… Plus…
Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics, 17) - Livres de poche
2010
ISBN: 9789048177998
Springer, Paperback, Auflage: Softcover reprint of hardcover 1st ed. 2008, 362 Seiten, Publiziert: 2010-11-23T00:00:01Z, Produktgruppe: Book, Hersteller-Nr.: 6 black & white tables, 0.51 … Plus…
Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics) - Livres de poche
2008, ISBN: 9048177995
[EAN: 9789048177998], New book, [SC: 6.99], [PU: Springer Netherlands], 364 pages. 9.25x6.10x0.82 inches. In Stock., Books
2010, ISBN: 9048177995
[EAN: 9789048177998], New book, [SC: 0.0], [PU: Springer], PRINT ON DEMAND Book; New; Fast Shipping from the UK., Books
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Informations détaillées sur le livre - Hybrid Methods of Molecular Modeling (Progress in Theoretical Chemistry and Physics, Band 17)
EAN (ISBN-13): 9789048177998
ISBN (ISBN-10): 9048177995
Version reliée
Livre de poche
Date de parution: 2010
Editeur: Springer
364 Pages
Poids: 0,550 kg
Langue: eng/Englisch
Livre dans la base de données depuis 2011-09-23T11:22:49+02:00 (Zurich)
Page de détail modifiée en dernier sur 2023-11-24T03:46:23+01:00 (Zurich)
ISBN/EAN: 9789048177998
ISBN - Autres types d'écriture:
90-481-7799-5, 978-90-481-7799-8
Autres types d'écriture et termes associés:
Auteur du livre: eff, tchou
Titre du livre: methods theoretical physics, hybrid, progress physics
Données de l'éditeur
Auteur: Andrei L. Tchougréeff
Titre: Progress in Theoretical Chemistry and Physics; Hybrid Methods of Molecular Modeling
Editeur: Springer; Springer Netherland
344 Pages
Date de parution: 2010-11-22
Dordrecht; NL
Imprimé / Fabriqué en
Poids: 0,599 kg
Langue: Anglais
534,99 € (DE)
549,99 € (AT)
590,00 CHF (CH)
POD
XVIII, 344 p.
BC; Theoretical and Computational Chemistry; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Coordination Compounds; Deductive Molecular Mechanics; Hybrid Perspectives; Quantum Chemistry; Quantum Mechanical Technique; chemistry; mechanics; quantum mechanics; Computer Applications in Chemistry; Physical Chemistry; Materials Science, general; Nanotechnology; Computer Appl. in Life Sciences; Theoretical Chemistry; Computational Chemistry; Physical Chemistry; Materials Science; Nanotechnology; Computational and Systems Biology; Chemoinformatik; Physikalische Chemie; Materialwissenschaft; Nanotechnologie; DV-gestützte Biologie/Bioinformatik; BB
This is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. The book presents its material in a sequential way paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for practical developing of the robust modeling code.
is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory.
presents its material in a sequential way paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for practical developing of the robust modeling code. Historical remarks are given when it is necessary to put the current presentation in a more general context and to establish relation with other areas of computational chemistry. The reader should have experience with basic concepts of computational chemistry and/or molecular modeling. Basic knowledge of operators, wave functions, electron densities is necessary.
1.7 General Scheme for Separating Electronic Variables
2.6 Hybrid Mehtods of Modeling Complex Molecualr Systems
3.6 Conclusion
-Metals into Molecular Mechanics. Models of Spin-Active Compounds
Preface 1. Molecular modeling: Problem formulation and wrapping contexts 2. Models of molecular structure: Hybrid perspective 3. Deductive molecular mechanics: Bridging quantum and classical models of molecular structure 4. Synthesis: Hybrid molecular models for coordination compounds Conclusion. Remaining problemsPresents a rigorous treatment of the derivations of hybrid methods of molecular modeling
Explains the concepts and current methodologies of hybrid methods
Explicitly describes the approximations assumed in the modeling code
Applies theoretical hybrid methods to problems of importance to chemists, biochemists, and materials researchers
Includes supplementary material: sn.pub/extras
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