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 describes some of the latest approaches in the computational modeling of photochemistry in solutions and constrained media.
Presents research from experts in the top tiers of computational chemistry and photochemistry including chapters by recognized specialists such as Howard Zimmerman, Josef Michl, Matthew Platz, Nina Gritsan, Weston Borden, Mike Robb, Michael Bearpark, Maccimo Olivucci, Martin Klessinger, Frank Weinhold, Todd Martinez, and others.
While the issue of excited states is discussed in specialized computational series, these books address issues of organic photochemistry sparsely. There has been, until now, no volume specifically devoted to the computational methods in photochemistry with an emphasis on organic photochemistry.
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Andrei G. Kutateladze
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Zustand: New. Andrei G. KutateladzeAddressing 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 . Artikel-Nr. 898858773
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Buch. Zustand: Neu. Neuware - 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. Artikel-Nr. 9780824753450
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Zustand: New. Addressing critical aspects of computational modeling in photochemistry, this work introduces the computational methods to predict the reactivity of excited molecules. It offers guidelines for the modeling of excited states and describes the approaches in the computational modeling of photochemistry in solutions and constrained media. Editor(s): Kutateladze, Andrei G. Series: Molecular & Supramolecular Photochemistry. Num Pages: 517 pages, 117 black & white illustrations, 58 black & white tables. BIC Classification: PNRL. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 229 x 152 x 32. Weight in Grams: 816. . 2005. 1st Edition. hardcover. . . . . Books ship from the US and Ireland. Artikel-Nr. V9780824753450
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