Computational catalysis
by Asthagiri, Aravind Janik, Michael J.
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 an in depth review of select methods and approaches being adopted to push forward the boundaries of computat…
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- Full title :Computational catalysis / edited by Aravind Asthagiri and Michael J. Janik.
Summary
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 an in depth review of select 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.
Read More ↓Edition Statements
- Publication Date:©2014
Publication Statements
- Publisher(s):RSC Publishing
- Place of Publication:Cambridge, UK
- Language:eng
- Publication Date:©2014
The Physical Object
- Description:1 online resource (x, 266 pages) : : illustrations (some color).
Edition Identifiers
- ISBN:9781849734905, 1849734909
- oclc:ocn874143746
- LC Classification:QD505
- Dewey Decimal:277
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