Computational Chemistry

Author:   Jeremy Harvey (Professor of Quantum Chemistry, Professor of Quantum Chemistry, Chemistry Department, KU Leuven, Belgium)
Publisher:   Oxford University Press
ISBN:  

9780198755500


Pages:   152
Publication Date:   08 March 2018
Format:   Paperback
Availability:   To order   Availability explained
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.

Our Price $75.95 Quantity:  
Add to Cart

Share |

Computational Chemistry


Add your own review!

Overview

Full Product Details

Author:   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:  

9780198755500


ISBN 10:   0198755503
Pages:   152
Publication Date:   08 March 2018
Audience:   College/higher education ,  Undergraduate
Format:   Paperback
Publisher's Status:   Active
Availability:   To order   Availability explained
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 Contents

1: 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: Conclusions

Reviews

A 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 Information

Jeremy 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 6

Author Website:  

Customer Reviews

Recent Reviews

No review item found!

Add your own review!

Countries Available

All regions
Latest Reading Guide

MRG2025CC

 

Shopping Cart
Your cart is empty
Shopping cart
Mailing List