Computational Methods in Photochemistry (eBook, ePUB)

Redaktion: Kutateladze, Andrei G.

• Format: ePub

Produktbeschreibung

Addressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describ

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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.