The World of Quantum Chemistry : Proceedings of the First International Congress of Quantum Chemistry held at Menton, France, July 4-10, 1973 (Quantum Chemistry)

Daudel, R. (EDT)/ Pullman, A. (EDT)

Springer（2011/10発売）

• 製本 Paperback:紙装版/ペーパーバック版／ページ数 332 p.
• 言語 ENG
• 商品コード 9789401021586
• DDC分類 541

Full Description

Proceedings of the First International Congress of Quantum Chemistry, held at Menton, France, July 4-10, 1973

Contents

I/Methods of Quantum Chemistry.- The History of the X? Method.- Configuration Interaction Description of Electron Correlation.- Some Problems of the Theory of Intermolecular Interactions.- II/Electronic Structure and Conformation of Molecules.- Remarks on Calculations of Molecular Electronic Structure.- Molecular Orbital Theory of the Conformation of Small Organic Molecules.- Conformational Studies in Quantum Biochemistry.- III/General Theory of Chemical Reactivity.- to Symposium III: General Theory of Chemical Reactivity.- Quantum Mechanics of Simple Chemical Reactions.- The Charge and Spin Transfers in Chemical Reaction Paths.- IV/Formation and Evolution of Molecular Excited States.- Preparation and Decay of Excited Molecular States.- Some Aspects of UPS.- V/Effects of Environment on the Behaviour of Molecules.- Introductory Remarks.- Intermolecular Forces and the Electric and Magnetic Properties of Molecules.- Three Types of Potential Needed in Predicting Conformations of Molecules in Solution and Their Use.- Molecular interactions in Ground and Excited States.