理論化学入門 An Introduction to Theoretical Chemistry

Simons, Jack

Cambridge Univ Pr（2003/06発売）

• 製本 Hardcover:ハードカバー版／ページ数 461 p.
• 言語 ENG
• 商品コード 9780521823609
• DDC分類 541.2

基本説明

多数の図版、練習問題および解法。
A unique textbook which goes back to basics, with emphasis is on the concepts, tools and equations that govern the three main theoretical chemistry sub-disciplines.

Full Description

In this unique textbook Jack Simons goes back to basics and focuses on the foundations that lie at the heart of modern day theoretical chemistry. Emphasis is on the concepts, tools and equations that govern the three main theoretical chemistry sub-disciplines: electronic structure, statistical mechanics and reaction dynamics. Part I provides the foundations of quantum mechanics and molecular spectroscopy as applied to chemistry today. This section can be used either as stand-alone material in a junior level physical chemistry class or to provide the reader with the tools and background needed to cover the second part of the book. Part II starts with a general overview of theoretical chemistry and then gives a very accessible introduction to each of the three main sub-disciplines in the subject. Highly illustrated with numerous exercises and worked solutions, this book provides a concise, up-to-date treatise on the underpinnings of modern theoretical chemistry.

Contents

Part I. Background MaterialModel problems that form important starting points; 3. Characteristics of energy surfaces; 4. Some important tools of theory; Part II. Three Primary Areas of Theoretical Chemistry: 5. An overview of theoretical chemistry; 6. Electronic structure; 7. Statistical mechanics; 8. Chemical dynamics.