Multiscale Molecular Methods in Applied Chemistry (Hardcover, 2012)

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.- Dynamic QM/MM: A Hybrid Approach to Simulating Gas Liquid Interactions, by S. Yockel and G. C. Schatz.- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil.- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter.- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar.- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec.- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt.- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Muller-Plathe.-"

General

Imprint:	Springer-Verlag
Country of origin:	Germany
Series:	Topics in Current Chemistry, 307
Release date:	2012
First published:	2012
Editors:	Barbara Kirchner • Jadran Vrabec
Dimensions:	235 x 155 x 23mm (L x W x T)
Format:	Hardcover
Pages:	328
Edition:	2012
ISBN-13:	978-3-642-24967-9
Categories:	Books > Science & Mathematics > Chemistry > Organic chemistry > General Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
LSN:	3-642-24967-1
Barcode:	9783642249679

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