Mendeley出力
＜図書＞
Multiscale simulation methods for nanomaterials
| 責任表示 | edited by Richard B. Ross, Sanat Mohanty |
|---|---|
| データ種別 | 図書 |
| 出版情報 | Hoboken, N.J. : John Wiley , c2008 |
| 本文言語 | 英語 |
| 大きさ | xiv, 275p., [8]p. of plates. ; 25cm |
| 概要 | Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap was the name of a National American Chemical Society symposium held in the fall of 2005 in Washington...DC. Of the 40 presentations, 14 were selected as a broad representation of scaling methods, and have been expanded into the articles here. Chemists and related scientists discuss such matters as optimizing the electronic properties of carbon nanotubes using amphoteric doping, mesoscale simulations of surface-modified nanospheres in solvents, and modeling the thermal decomposition of large molecules and nanostructures. Annotation ©2008 Book News, Inc., Portland, OR (booknews.com) 続きを見る |
| 目次 | 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 ... [et al.] 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 ... [et al.] Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen ... [et al.] 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 ... [et al.] 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 ... [et al.] Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty ... [et al.] 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.続きを見る |
所蔵情報
| 状態 | 巻次 | 所蔵場所 | 請求記号 | 刷年 | 文庫名称 | 資料番号 | コメント | 予約・取寄 | 複写申込 | 自動書庫 |
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理系図1F 開架 | 431.1/R 73 | 2008 |
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031212009002077 |
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書誌詳細
| 一般注記 | Includes references and index |
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| 著者標目 | Ross, Richard B., 1958- Mohanty, Sanat |
| 件 名 | LCSH:Molecular electronics -- Simulation methods
全ての件名で検索
LCSH:Nanotechnology |
| 分 類 | LCC:TK7874.8 DC22:620.1/1 |
| 書誌ID | 1001411891 |
| ISBN | 9780470105283 |
| NCID | BA85959028 |
| 巻冊次 | ISBN:9780470105283 |
| 登録日 | 2010.01.27 |
| 更新日 | 2017.10.03 |