Computational Methods in Photochemistry (eBook, PDF)

Redaktion: Kutateladze, Andrei G.

• Format: PDF

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
• Seitenzahl: 517
• Erscheinungstermin: 5. Mai 2005
• Englisch
• ISBN-13: 9781420030587
• Artikelnr.: 52974169

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.