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Multiscale Molecular Methods in Applied Chemistry / edited by Barbara Kirchner, Jadran Vrabec
(Topics in Current Chemistry. ISSN:03401022 ; 307)
| データ種別 | 電子ブック |
|---|---|
| 著者標目 | Kirchner, Barbara editor Vrabec, Jadran editor SpringerLink (Online service) |
| 出版情報 | 製作表示:Berlin, Heidelberg : Springer Berlin Heidelberg , 2012 |
書誌詳細を非表示
| 巻次 | ISBN:9783642249686 |
|---|---|
| 大きさ | XII, 328 p : online resource |
| 一般注記 | 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 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 HTTP:URL=http://dx.doi.org/10.1007/978-3-642-24968-6 |
| 件 名 | LCSH:Chemistry LCSH:Chemoinformatics LCSH:Chemometrics LCSH:Organic chemistry LCSH:Physical chemistry LCSH:Chemistry, Physical and theoretical FREE:Chemistry FREE:Organic Chemistry FREE:Theoretical and Computational Chemistry FREE:Computer Applications in Chemistry FREE:Physical Chemistry FREE:Math. Applications in Chemistry |
| 分 類 | LCC:QD415-436 DC23:547 |
| 書誌ID | OB00007228 |
| ISBN | 9783642249686 |