Mendeley出力
＜図書＞
Solvent effects and chemical reactivity
| 責任表示 | edited by Orlando Tapia and Juan Bertrán |
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| シリーズ | Understanding chemical reactivity ; v. 17 |
| データ種別 | 図書 |
| 出版情報 | Boston : Kluwer Academic Publishers , 1996 |
| 本文言語 | 英語 |
| 大きさ | x, 377 p. ; 25 cm |
| 概要 | This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation mode...s, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers. 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 自動書庫 | 431.3/Ta 89/54970462 | 1996 |
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054211997004621 |
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書誌詳細
| 著者標目 | Tapia, Orlando, 1938- Bertrán, J. (Juan), 1931- |
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| 件 名 | LCSH:Reactivity (Chemistry) LCSH:Solution (Chemistry) LCSH:Solvation LCSH:Solvents |
| 分 類 | LCC:QD505.5 DC20:541.3/4 |
| 書誌ID | 1001017704 |
| ISBN | 0792339959 |
| NCID | BA28294455 |
| 巻冊次 | ISBN:0792339959 |
| 登録日 | 2009.09.16 |
| 更新日 | 2009.09.16 |