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Titlebook: Multiscale Molecular Methods in Applied Chemistry; Barbara Kirchner,Jadran Vrabec Book 2012 Springer-Verlag GmbH Berlin Heidelberg 2012 Co

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書目名稱Multiscale Molecular Methods in Applied Chemistry
編輯Barbara Kirchner,Jadran Vrabec
視頻videohttp://file.papertrans.cn/642/641167/641167.mp4
概述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 vali
叢書名稱Topics in Current Chemistry
圖書封面Titlebook: Multiscale Molecular Methods in Applied Chemistry;  Barbara Kirchner,Jadran Vrabec Book 2012 Springer-Verlag GmbH Berlin Heidelberg 2012 Co
描述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-Pl
出版日期Book 2012
關(guān)鍵詞Course-grained modelling; Gas –liquid interaction simulation; Hierarchically structured materials; Meso
版次1
doihttps://doi.org/10.1007/978-3-642-24968-6
isbn_softcover978-3-642-27058-1
isbn_ebook978-3-642-24968-6Series ISSN 0340-1022 Series E-ISSN 1436-5049
issn_series 0340-1022
copyrightSpringer-Verlag GmbH Berlin Heidelberg 2012
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0340-1022 mistry.Each written by the world renowned experts.Still valiFirst-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
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Topics in Current Chemistryhttp://image.papertrans.cn/n/image/641167.jpg
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978-3-642-27058-1Springer-Verlag GmbH Berlin Heidelberg 2012
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