Mendeley出力
＜図書＞
Computational thermochemistry : prediction and estimation of molecular thermodynamics
| 責任表示 | Karl K. Irikura, editor, David J. Frurip, editor |
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| シリーズ | ACS symposium series ; 677 |
| データ種別 | 図書 |
| 出版情報 | Washington, DC : American Chemical Society , c1998 |
| 本文言語 | 英語 |
| 大きさ | x, 470 p. : ill. ; 24 cm |
| 概要 | Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters fo... molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR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 | 52/I/677 | 1998 |
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025211998002887 |
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書誌詳細
| 一般注記 | "Developed from a symposium sponsored by the Division of Computers in Chemistry at the 212th National Meeting of the American Chemical Society, Orlando, Florida, August 25-29, 1996." Includes bibliographical references and index |
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| 著者標目 | Irikura, Karl K., 1963- Frurip, David J. American Chemical Society. Division of Computers in Chemistry American Chemical Society. Meeting (212th : 1996 : Orlando, Fla.) |
| 件 名 | LCSH:Thermochemistry -- Mathematical models -- Congresses 全ての件名で検索 |
| 分 類 | LCC:QD510 DC21:541.3/6/0113 |
| 書誌ID | 1001361213 |
| ISBN | 0841235333 |
| NCID | BA36488526 |
| 巻冊次 | ISBN:0841235333 |
| 登録日 | 2009.09.18 |
| 更新日 | 2009.09.18 |