
Annual Reports in Computational Chemistry: Volume 8
Ralph A. Wheeler(Herausgeber*in)
Elsevier (Verlag)
Erschienen am 1. Oktober 2012
Buch
Softcover
208 Seiten
978-0-444-59440-2 (ISBN)
Beschreibung
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.
Weitere Details
Reihe
Sprache
Englisch
Verlagsort
Oxford
Großbritannien
Verlagsgruppe
Elsevier Science & Technology
Zielgruppe
Für Beruf und Forschung
Researchers and students interested in computational chemistry
Produkt-Hinweis
Broschur/Paperback
Maße
Höhe: 229 mm
Breite: 152 mm
Dicke: 11 mm
Gewicht
284 gr
ISBN-13
978-0-444-59440-2 (9780444594402)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
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Ralph A. Wheeler
Annual Reports in Computational Chemistry
E-Book
05/2014
Elsevier
190,00 €
Als Download verfügbar
Person
Herausgeber*in
Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA
Inhalt
Section A: Quantum Chemistry (Section Editor: Gregory S. Tschumper)
A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
David A. Dixon, David Feller and Kirk A. Peterson
Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States
Wanyi Jiang and Angela K. Wilson
On The Orthogonality of Orbitals in Subsystem Kohn-Sham Density Functional Theory
Yuriy G. Khait and Mark R. Hoffmann
Section B: Biological Modeling (Section Editor: Nathan Baker)
Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules
David M. Rogers, Dian Jiao, Lawrence R. Pratt and Susan B. Rempe
A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics
Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren
Section C: Bioinformatics (Section Editor: Wei Wang)
Poisson-Boltzmann Implicit Solvation Models Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo
A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
David A. Dixon, David Feller and Kirk A. Peterson
Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States
Wanyi Jiang and Angela K. Wilson
On The Orthogonality of Orbitals in Subsystem Kohn-Sham Density Functional Theory
Yuriy G. Khait and Mark R. Hoffmann
Section B: Biological Modeling (Section Editor: Nathan Baker)
Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules
David M. Rogers, Dian Jiao, Lawrence R. Pratt and Susan B. Rempe
A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics
Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren
Section C: Bioinformatics (Section Editor: Wei Wang)
Poisson-Boltzmann Implicit Solvation Models Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo