Computational Methods in Photochemistry

Informationen zum Autor Andrei G. Kutateladze Klappentext A concentrated source for the most recent computational methods as applied to organic photochemistry! this guide contains a historical perspective on the development of early semi-quantitative and quantitative methods in organic photochemistry. Written by one of the founders of modern theoretical and experimental photochemistry! it provides the most up-to-date summary of SOC computations for various organic diradicals and triplet species with listings of all the actual computed values! key concepts and computational methods designed to describe adiabatic and non-adiabatic behavior of excited species! and a vast dataset of experimental and computational results pertaining to nitrenes! including various alkyl-! vinyl-! aryl- and acylnitrenes. Zusammenfassung 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. Inhaltsverzeichnis 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.

Product details

• Authors: Kutateladze, Andrei G. Kutateladze, Andrei G. (University of Denver Kutateladze, Kutateladze G. Kutateladze, Kutateladze Andrei G
• Assisted by: Andrei G. Kutateladze (Editor), Andrei G. (University of Denver Kutateladze (Editor), Kutateladze Andrei G. (Editor)
• Publisher: Taylor & Francis Ltd.
• Languages: English
• Product format: Hardback
• Released: 05.05.2005
• EAN: 9780824753450
• ISBN: 978-0-8247-5345-0
• No. of pages: 528
• Series: Molecular and Supramolecular Photochemistry; Molecular and Supramolecular Photochemistry
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Physical chemistry; SCIENCE / Chemistry / Physical & Theoretical, Nuclear chemistry, photochemistry & radiation, Nuclear chemistry, photochemistry and radiation