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Multiscale Molecular Methods in Applied Chemistry: Topics in Current Chemistry, cartea 307

Editat de Barbara Kirchner, Jadran Vrabec
en Limba Engleză Paperback – 30 noi 2013
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. Müller-Plathe.-
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Specificații

ISBN-13: 9783642270581
ISBN-10: 3642270581
Pagini: 340
Ilustrații: XII, 328 p.
Dimensiuni: 155 x 235 x 18 mm
Greutate: 0.48 kg
Ediția:2012
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Topics in Current Chemistry

Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

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. Müller-Plathe.

Textul de pe ultima copertă

A. Jaramillo-BoteroR. NielsenR. AbrolJ. SuT. PascalJ. Mueller W. A. GoddardFirst-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical ProcessesS. Yockel G. C. SchatzDynamic QM/MM: A Hybrid Approach to Simulating Gas–Liquid InteractionsF. J. KeilMultiscale Modelling in Computational Heterogeneous CatalysisB. KirchnerP. J. di Dio J. HutterReal-World Predictions from Ab Initio Molecular Dynamics SimulationsC. D. DaubD. Bratko A. LuzarNanoscale Wetting Under Electric Field from Molecular SimulationsJ. L. RaffertyJ. I. SiepmannM. R. SchureMolecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length ScalesG. Guevara-CarrionH. Hasse J. Vrabec.-Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields

Caracteristici

This series presents critical reviews of the present position and future trends in modern chemical research Short and concise reports on chemistry Each written by the world renowned experts Still valid and useful after 5 or 10 years More information as well as the electronic version of the whole content available at: springerlink.com Includes supplementary material: sn.pub/extras