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Computational Methods in Photochemistry

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Author(s): A.G. Kutataladze
Series: Molecular and Supramolecular Photochemistry 13
Publisher: Marcel Dekker
Year: 2005

Language: English
Pages: 531
City: New York

contents......Page 8
01 some theoretical applications of organic photochemistry......Page 14
02 computational investigatio of photochemical reaction mechanisms......Page 44
03 spin-orbit coupling......Page 124
04 photochemistry from first principles and direct dynamics......Page 180
05 the study of nitrenes by theoretical methods......Page 248
06 semiempirical MR-CI calculations for organic photoreactions......Page 370
07 natural bond orbital analysis of photochemical excitation......Page 406
08 a theoretical approach to solid-state organic photochemistry......Page 490
index......Page 524