Computational Catalysis (Hardcover)

The field of computational catalysis has existed in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst entirely from the computer. While this goal has not been reached yet, the 21st Century has already seen key advances in capturing the myriad complex phenomena that are critical to catalyst behaviour under reaction conditions. This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis. Each method is supported with applied examples selected by the author, proving to be a more substantial resource than the existing literature. Both existing a possible future high-impact techniques are presented. An essential reference to anyone working in the field, the book's editors share more than two decade's of experience in computational catalysis and have brought together an impressive array of contributors. The book is written to ensure postgraduates and professionals will benefit from this one-stop resource on the cutting-edge of the field.

General

Imprint:	Royal Society of Chemistry
Country of origin:	United Kingdom
Series:	Catalysis Series, Volume 14
Release date:	December 2013
First published:	2012
Editors:	Aravind Asthagiri • Michael J. Janik
Dimensions:	234 x 156 x 22mm (L x W x T)
Format:	Hardcover - Unsewn / adhesive bound
Pages:	276
ISBN-13:	978-1-84973-451-6
Categories:	Books > Science & Mathematics > Chemistry > Physical chemistry > Catalysis Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry Promotions
LSN:	1-84973-451-8
Barcode:	9781849734516

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