Computational Methods in Photochemistry (eBook, ePUB)

Redaktion: Kutateladze, Andrei G.

• Format: ePub

Produktbeschreibung

A concentrated source for the most recent computational methods as applied to organic photochemistry, this guide The book contains a historical perspective on the development of early semi-quantitative and quantitative methods in organic photochemistry.

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Produktdetails

• Verlag: Taylor & Francis eBooks
• Erscheinungstermin: 5. Mai 2005
• Englisch
• ISBN-13: 9781040200155
• Artikelnr.: 73302403

Autorenporträt

Andrei G. Kutateladze

Inhaltsangabe

Some Theoretical Applications in Organic Photochemistry. Excited State and Open Shell Examples. Computational Investigation of Photochemical Reaction Mechanisms. Spin-Orbit Coupling. Photochemistry from First Principles and Direct Dynamics. The Study of Nitrenes by Theoretical Methods. Semiempirical MR-CI Calculations for Organic Photoreactions. Natural Bond Orbital Analysis of Photochemical Excitation, with Illustrative Applications to Vinoxy Radical. A Theoretical Approach to Solid State Organic Photochemistry; Mechanistic and Exploratory Organic Photochemistry.