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Applications of MO Theory in Organic Chemistry

Progress in Theoretical Organic Chemistry

Applications of MO Theory in Organic Chemistry by I. G. Csizmadia
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Applications of MO Theory in Organic Chemistry is a documentation of the proceedings of the First Theoretical Organic Chemistry meeting.
This text is divided into five sections. Section A contains contributions ranging from the stereochemistry of stable molecules, radicals, and molecular ions, through hydrogen bonding and ion solvation to mathematical analyses of energy hypersurfaces. Section B deals with theoretical studies of organic reactions, including basecatalyzed hydrolysis, protonation, epoxidation, and electrophilic addition to double and triple bonds. Section C consists of topics starting with a qualitative configuration interaction treatment of thermal and photochemical organic reactions, followed by ab initio treatments of photochemical intermediates and a consideration of the role of Rydberg and valence-shell states in photochemistry. Section D provides analyses of methods for the determination and characterization of localized MO and discussions of correlated electron pair functions. Section E covers a very wide range from the application of statistical physics to the treatment of molecular interactions with their environments to a challenge to theoretical organic chemists in the field of natural products, and an introduction to information theory in organic chemistry.
This book is a good source of information for students and researchers conducting study on the many areas in theoretical organic chemistry.
Elsevier Science; September 2013
641 pages; ISBN 9781483163925
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Title: Applications of MO Theory in Organic Chemistry
Author: I. G. Csizmadia