Computational Catalysis Aravind Asthagiri

ISBN: 9781849734516

Published: December 2nd 2013

Hardcover

276 pages


Description

Computational Catalysis  by  Aravind Asthagiri

Computational Catalysis by Aravind Asthagiri
December 2nd 2013 | Hardcover | PDF, EPUB, FB2, DjVu, talking book, mp3, RTF | 276 pages | ISBN: 9781849734516 | 3.33 Mb

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 seenMoreThe 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 books editors share more than two decades 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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