Articoli correlati a Multiscale Molecular Methods in Applied Chemistry:...

Multiscale Molecular Methods in Applied Chemistry: 307 - Brossura

Libro 19 di 84: Topics in Current Chemistry
 
9783642270581: Multiscale Molecular Methods in Applied Chemistry: 307

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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. Müller-Plathe.-

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Dalla quarta di copertina

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

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