Reviews in Computational Chemistry, Volume 14

Reviews in Computational Chemistry, Volume 14

Editor(s): Kenny B. Lipkowitz, Donald B. Boyd

Published Online: 5 JAN 2007

Print ISBN: 9780471354956

Online ISBN: 9780470125915

DOI: 10.1002/9780470125915

About this Book

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER
* HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS,
* HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND
* HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES.
* A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY.
* ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Table of contents

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    2. Nonequilibrium Molecular Dynamics (pages 291–397)

      Christopher J. Mundy, Sundaram Balasubramanian, Ken Bagchi, Mark E. Tuckerman, Glenn J. Martyna and Michael L. Klein

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    4. You have free access to this content

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