Computational Catalysis

Computational Catalysis
Author: Aravind Asthagiri
Publisher: Royal Society of Chemistry
Total Pages: 277
Release: 2014
Genre: Science
ISBN: 1849734518

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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.


Computational Catalysis
Language: en
Pages: 277
Authors: Aravind Asthagiri
Categories: Science
Type: BOOK - Published: 2014 - Publisher: Royal Society of Chemistry

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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.
Computational Methods in Catalysis and Materials Science
Language: en
Pages: 475
Authors: Rutger A. van Santen
Categories: Technology & Engineering
Type: BOOK - Published: 2015-11-19 - Publisher: John Wiley & Sons

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This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with r
Computational Modeling of Homogeneous Catalysis
Language: en
Pages: 373
Authors: Feliu Maseras
Categories: Science
Type: BOOK - Published: 2006-04-11 - Publisher: Springer Science & Business Media

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Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneou
Simulating Enzyme Reactivity
Language: en
Pages: 558
Authors: Inaki Tunon
Categories: Science
Type: BOOK - Published: 2016-11-25 - Publisher: Royal Society of Chemistry

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Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and resear
Computational Modeling for Homogeneous and Enzymatic Catalysis
Language: en
Pages: 398
Authors: Keiji Morokuma
Categories: Science
Type: BOOK - Published: 2008-04-09 - Publisher: John Wiley & Sons

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Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understan