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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Multiscale Molecular Methods in Applied Chemistry (Paperback, 2012)
Loot Price: R7,646
Discovery Miles 76 460
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Multiscale Molecular Methods in Applied Chemistry (Paperback, 2012)
Series: Topics in Current Chemistry, 307
Expected to ship within 18 - 22 working days
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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.-"
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