Reviews in computational chemistry.

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Reviews in computational chemistry. / edited by Abby L. Parrill, Kenny B. Lipkowitz

資料種別:

電子ブック

出版情報:

Hoboken, NJ : Wiley, 2015

形態:

1 online resource (570 pages)

シリーズ名:

Reviews in Computational Chemistry ;

著者名:

ISBN:

9781118889886 [1118889886]
9781118889817 [1118889819]
9781118889930 [1118889932]
9781118407776 [1118407776]

書誌ID:

EB00000443

子書誌情報

フルテキスト

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書誌詳細

注記:

ReferencesChapter 2 Polarizable Force Fields for Biomolecular Modeling; Introduction; Modeling Polarization Effects; Induced Dipole Models; Classic Drude Oscillators; Fluctuating Charges; Recent Developments; AMOEBA; SIBFA; NEMO; CHARMM-Drude; CHARMM-FQ; X-Pol; PFF; Applications; Water Simulations; Ion Solvation; Small Molecules; Proteins; Lipids; Continuum Solvents for Polarizable Biomolecular Solutes; Macromolecular X-ray Crystallography Refinement; Prediction of Organic Crystal Structure, Thermodynamics, and Solubility; Summary; Acknowledgment; References.
Chapter 5 Kinetic Monte Carlo Simulation of Electrochemical Systems.
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protei.

主題:

Chemistry--Data processing; Chemistry--Mathematics; Chemistry--Periodicals.--Mathematics; SCIENCE--Chemistry Clinical

目次情報:

東工大ブックレビュー

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