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Multiscale Molecular Methods in Applied Chemistry

Language EnglishEnglish
Book Hardback
Book Multiscale Molecular Methods in Applied Chemistry Barbara Kirchner
Libristo code: 01659147
Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, October 2011
A. Jaramillo-Botero§R. Nielsen§R. Abrol§J. Su§T. Pascal§J. Mueller §W. A. Goddard§First-Principles-B... Full description
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A. Jaramillo-Botero§R. Nielsen§R. Abrol§J. Su§T. Pascal§J. Mueller §W. A. Goddard§First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes§S. Yockel §G. C. Schatz§Dynamic QM/MM: A Hybrid Approach to Simulating Gas Liquid Interactions§F. J. Keil§Multiscale Modelling in Computational Heterogeneous Catalysis§B. Kirchner§P. J. di Dio §J. Hutter§Real-World Predictions from Ab Initio Molecular Dynamics Simulations§C. D. Daub§D. Bratko §A. Luzar§Nanoscale Wetting Under Electric Field from Molecular Simulations§J. L. Rafferty§J. I. Siepmann§M. R. Schure§Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales§G. Guevara-Carrion§H. Hasse §J. Vrabec.-§Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields

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About the book

Full name Multiscale Molecular Methods in Applied Chemistry
Author Barbara Kirchner, Jadran Vrabec
Language English
Binding Book - Hardback
Date of issue 2011
Number of pages 328
EAN 9783642249679
ISBN 3642249671
Libristo code 01659147
Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Weight 676
Dimensions 155 x 235 x 23

Categories

Mathematics & Science > Chemistry > Physical chemistry > Quantum & theoretical chemistry
Mathematics & Science > Science: general issues > Maths for scientists
Mathematics & Science > Chemistry > Organic chemistry
Computing & Information Technology > Information technology: general issues
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