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

Sommario

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.

Dettagli sul prodotto

• Con la collaborazione di: R. Daudel (Editore), A. Pullman (Editore), Bernard Pullman (Editore)
• Editore: Springer Netherlands
• Lingue: Inglese
• Formato: Copertina rigida
• Pubblicazione: 01.01.1974
• EAN: 9789027704214
• ISBN: 978-90-277-0421-4
• Pagine: 332
• Peso: 770 g
• Illustrazioni: 332 p.
• Serie: Quantum Chemistry
• Categoria: Scienze naturali, medicina, informatica, tecnica > Chimica > Chimica fisica