Solvent effect, reaction mechanisms, photochemical processes

書誌事項

Solvent effect, reaction mechanisms, photochemical processes

edited by Raymond Daudel ... [et al.]

(Quantum theory of chemical reactions / edited by Raymond Daudel ... [et al.], v. 2)

D. Reidel, c1981

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注記

Includes bibliographical references and indexes

内容説明・目次

目次

The Supermolecule Approach to the Solvation Problem.- Local Field Representation of Surrounding Medium Effects. From Liquid Solvent to Protein Core Effects.- The Effects of a Polarizable Environment Represented by the Generalized Born Formula in Self Consistent Quantum Chemical Calculations: Application to the Study of Ambident Reactions.- Chemical Reactivity in Inert Matrices.- Theory of Environmental Effects on Atoms and Molecules Trapped in Rare Gas Matrices.- Organometallic 1.2 Shift Type Migration Reactions.- A MO Treatment of the Regioselectivity of Nucleophilic Addition to ?-Enones.- An Electrophilic Addition Reaction in Solution: C2H4 + Cl2. Ab Initio Studies.- Theoretical Study of a Homogeneous Catalytic Reaction: The Chlorotris-(Triphenylphosphine)Rhodium(I)-Catalyzed Hydrogenation of Olefins.- Energy Surfaces in Quantum Chemistry.- Overlap in Binuclear Complexes: A Topological Approach of the Exchange Interaction.- The Evolution of Electronically Excited Molecules.- Study of Photochemical Reaction with Natural Correlation Method.- Theoretical Analysis of the Role of Rydberg States in the Photochemistry of Some Small Molecules.- Reappraisal of the Sudden Polarization in Olefins.- Photochemical Attachment of Aliphatic Hydrocarbons to Polynuclear Aromatic Hydrocarbons (PAH) in Rigid Alkane Matrices at 77K. Evidence for a Two-Photon Process Involving an Upper Excited Triplet State.- Index of Subjects.- Index of Names.

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