Computational Catalysis
Book Details
Format
Hardback or Cased Book
Book Series
Catalysis Series
ISBN-10
1849734518
ISBN-13
9781849734516
Publisher
Royal Society of Chemistry
Imprint
Royal Society of Chemistry
Country of Manufacture
GB
Country of Publication
GB
Publication Date
Dec 2nd, 2013
Print length
276 Pages
Weight
562 grams
Dimensions
16.30 x 23.50 x 2.20 cms
Product Classification:
CatalysisQuantum & theoretical chemistry
Ksh 25,200.00
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This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
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.
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