Computational Methods in Photochemistry

Herausgeber: Kutateladze, Andrei G

• Broschiertes Buch

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 Ltd (Sales)
• Seitenzahl: 517
• Erscheinungstermin: 19. September 2019
• Englisch
• Abmessung: 229mm x 150mm x 33mm
• Gewicht: 522g
• ISBN-13: 9780367392918
• ISBN-10: 0367392917
• Artikelnr.: 57815913

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.