| 書目名稱 | Multiscale Molecular Methods in Applied Chemistry | | 編輯 | Barbara Kirchner,Jadran Vrabec | | 視頻video | http://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 |  | | 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 | | doi | https://doi.org/10.1007/978-3-642-24968-6 | | isbn_softcover | 978-3-642-27058-1 | | isbn_ebook | 978-3-642-24968-6Series ISSN 0340-1022 Series E-ISSN 1436-5049 | | issn_series | 0340-1022 | | copyright | Springer-Verlag GmbH Berlin Heidelberg 2012 |
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