Ab initio molecular orbital theory
著者
書誌事項
Ab initio molecular orbital theory
Wiley, c1986
大学図書館所蔵 件 / 全68件
-
該当する所蔵館はありません
- すべての絞り込み条件を解除する
注記
"A Wiley-Interscience publication."
Includes bibliographies and index
内容説明・目次
内容説明
Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.
目次
Theoretical Background.
The Computational Problem.
Selection of A Model.
Practical Considerations: Input and Output.
The Performance of the Model.
Index.
「Nielsen BookData」 より