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OverviewFull Product DetailsAuthor: Jeremy Harvey (Professor of Quantum Chemistry, Professor of Quantum Chemistry, Chemistry Department, KU Leuven, Belgium)Publisher: Oxford University Press Imprint: Oxford University Press Dimensions: Width: 18.90cm , Height: 0.80cm , Length: 24.70cm Weight: 0.272kg ISBN: 9780198755500ISBN 10: 0198755503 Pages: 152 Publication Date: 08 March 2018 Audience: College/higher education , Undergraduate Format: Paperback Publisher's Status: Active Availability: To order ![]() Stock availability from the supplier is unknown. We will order it for you and ship this item to you once it is received by us. Table of Contents1: Computation and Computers in Chemistry 2: Quantum Chemistry 3: Quantum Chemical Methods 4: Molecular Mechanics Methods 5: Geometry Optimization 6: Dynamics Methods 7: Rate Constants and Equilibria 8: Hybrid and Multi-Scale Methods 9: ConclusionsReviewsA valuable and productive effort that can strongly benefit the development and the general understanding of computational chemistry and molecular simulation. * Antonio Monari, Universite de Lorraine, Acta Cryst. (2018) C74 * Significantly, one of the strengths of the book is the constant use of real-life examples in the form of real calculations performed by the author, which students are encouraged to repeat, to illustrate the different methods and the different problems. * Antonio Monari, Universite de Lorraine, Acta Cryst. (2018) C74 * This short and easily readable book provides an excellent guide to the world of computational chemistry. It could be successfully used also by graduates, students or researchers from the experimental chemistry fields, who seek a general, yet critical, view of the possibilities offered by modelling and simulation. * Antonio Monari, Universite de Lorraine, Acta Cryst. (2018) C74 * Computational Chemistry is a very welcome book whose main qualities are the rigour and the completeness achieved without sacrificing the synthesis. * Antonio Monari, Universite de Lorraine, Acta Cryst. (2018) C74 * Author InformationJeremy Harvey studied Chemistry, obtaining his 'Licence' and Doctorate at UC Louvain in Louvain-la-Neuve, Belgium. His doctoral thesis (1995) was in the area of experimental mechanistic organic chemistry. During postdoctoral periods in Germany and Israel, he became increasingly interested in computational chemistry, and since starting his independent research career in Bristol (1999) has worked in this area, mainly using electronic structure theory methods to shed light on experimental observations and to suggest new experiments. In 2014, he moved from Bristol to a position as Professor of Quantum Chemistry at KU Leuven. Tab Content 6Author Website:Countries AvailableAll regions |