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Multiscale simulation methods for nanomaterials /
Explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings. This book provides an overview of the methods for providing atomistic simulation of a range of materials using our understanding of molecular scale, nanoscale, mesoscale, and macrosca...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Hoboken, N.J. :
Wiley-Interscience,
©2008.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 245 | 0 | 0 | |a Multiscale simulation methods for nanomaterials / |c edited by Richard B. Ross, Sanat Mohanty. |
| 260 | |a Hoboken, N.J. : |b Wiley-Interscience, |c ©2008. | ||
| 300 | |a 1 online resource (xiv, 275 pages, 8 unnumbered pages of plates) : |b illustrations (some color) | ||
| 336 | |a text |b txt |2 rdacontent | ||
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| 347 | |a data file |2 rda | ||
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a Overview of multiscale simulation methods for materials / Sanat Mohanty and Richard B. Ross -- Influence of water and fatty acid molecules on quantum photoinduced electron tunneling in self-assembled photosynthetic centers of minimal protocells / A. Tamulis [and others] -- Optimizing the electronic properties of carbon nanotubes using amphoteric doping / Bobby G. Sumpter and Vincent Meunier -- Using order and nanoconfinement to tailor semiconducting polymers: a combined experimental and multiscale computational study / Michael L. Drummond [and others] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen [and others] -- Microscopic insights into the dynamics of protein-solvent mixtures / Taner E. Dirama and Gustavo A. Carri -- Mesoscale simulations of surface-modified nanospheres in solvents / Sanat Mohanty -- Fixing interatomic potentials using multiscale modeling: ad hoc schemes for coupling atomic and continuum simulations / Clifford W. Padgett [and others] -- Fully analytic implementation of density functional theory for efficient calculations on large molecules / Rajendra R. Zope and Brett I. Dunlap -- Aluminum nanoparticles: accurate potential energy functions and physical properties / Nathan E. Schultz [and others] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty [and others] -- New QM/MM models for multiscale simulation of phosphoryl transfer reactions in solution / Kwangho Nam, Jiali Gao and Darrin M. York -- Modeling the thermal decomposition of large molecules and nanostructures / Marc R. Nyden, Stanislav I. Stoliarov and Vadim D. Knyazev -- Predicting dynamic mesoscale structure of commercially relevant surfactant solutions / Fiona Case. | |
| 588 | 0 | |a Print version record. | |
| 520 | |a Explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings. This book provides an overview of the methods for providing atomistic simulation of a range of materials using our understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena. | ||
| 546 | |a English. | ||
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Molecular electronics |x Simulation methods. | |
| 650 | 0 | |a Nanotechnology. | |
| 650 | 6 | |a Électronique moléculaire |x Méthodes de simulation. | |
| 650 | 6 | |a Nanotechnologie. | |
| 650 | 7 | |a TECHNOLOGY & ENGINEERING |x Material Science. |2 bisacsh | |
| 650 | 7 | |a Nanotechnology |2 fast | |
| 700 | 1 | |a Ross, Richard B., |d 1958- |1 https://id.oclc.org/worldcat/entity/E39PCjFDXBvHXgXdQyqCT9DGtq | |
| 700 | 1 | |a Mohanty, Sanat S. | |
| 758 | |i has work: |a Multiscale simulation methods for nanomaterials (Text) |1 https://id.oclc.org/worldcat/entity/E39PCGRQ8ddfpFTJmcD9yptvVC |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
| 776 | 0 | 8 | |i Print version: |t Multiscale simulation methods for nanomaterials. |d Hoboken, N.J. : Wiley-Interscience, ©2008 |w (DLC) 2007023227 |
| 856 | 4 | 0 | |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=331568 |z Texto completo |
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