The World of Quantum Chemistry, Softcover reprint of the original 1st ed. 1974 Proceedings of the First International Congress of Quantum Chemistry held at Menton, France, July 4-10, 1973 Quantum Chemistry Series, Vol. 1
Langue : Anglais
Coordonnateurs : Daudel R., Pullman A.
Proceedings of the First International Congress of Quantum Chemistry, held at Menton, France, July 4-10, 1973
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.
Date de parution : 10-2011
Ouvrage de 332 p.
17x24.4 cm
Disponible chez l'éditeur (délai d'approvisionnement : 15 jours).
Prix indicatif 52,74 €
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Mots-clés :
Chemical reaction; biochemistry; chemistry; molecule; quantum chemistry; reactions; spin; structure
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