Mendeley出力
＜図書＞
Computational chemistry
| 責任表示 | Guy H. Grant, W. Graham Richards |
|---|---|
| シリーズ |
Oxford chemistry primers ; 29
Oxford science publications |
| データ種別 | 図書 |
| 出版者 | Oxford [England] : Oxford University Press |
| 出版年 | 1995 |
| 本文言語 | 英語 |
| 大きさ | 90 p. : ill. ; 25 cm |
| 概要 | The uses of computers in chemistry are many and varied, from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This text provides an introduction to ...he many methods currently used by practicing computational chemists and shows the value of computers in modern chemical research. The authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. While emphasizing the use of computers to model biological systems, the authors explain how the methods can be applied to a wide range of chemical problems. The uses of computers in chemistry are many and varied, from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This text provides an introduction to the many methods currently used by practicing computational chemists and shows the value of computers in modern chemical research. The authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. While emphasizing the use of computers to model biological systems, the authors explain how the methods can be applied to a wide range of chemical problems. 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| : pbk | 中央図 自動書庫 | 430/G 77 | 1996 |
|
003221998003771 |
|
書誌詳細
| 一般注記 | Bibliography: p. [92] Includes index |
|---|---|
| 著者標目 | *Grant, Guy H. Richards, W. G. (William Graham) |
| 件 名 | LCSH:Chemistry -- Data processing
全ての件名で検索
LCSH:Chemistry -- Computer simulation 全ての件名で検索 |
| 分 類 | NDC8:430 LCC:QD39.3.E46 DC20:542/.85 |
| 書誌ID | 1000225867 |
| ISBN | 0198557418 |
| NCID | BA24896795 |
| 巻冊次 | ISBN:0198557418 : pbk ; ISBN:019855740X |
| 登録日 | 2009.09.11 |
| 更新日 | 2009.09.11 |