Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems - Couverture rigide

Young, David

Couverture rigide

ISBN 10 : 0471333689 ISBN 13 : 9780471333685

Editeur : Wiley-Interscience, 2001

Synopsis

Book by Young David

A propos du livre

Quatrième de couverture

A complete bench–top guide to basic and advanced techniques used to solve real world research problems

Thanks to the proliferation of inexpensive, easy–to–use computational chemistry programs, the average laboratory chemist now has access to powerful tools once reserved solely for highly trained specialists. Computational Chemistry was designed specifically to enable chemists to add computational chemistry techniques to their working arsenal.

This book supplies the expert advice and guidance needed to confidently choose and successfully apply the correct computational chemistry techniques to an array of real world scientific problems. Computational chemist David Young provides clear–cut descriptions and step–by–step instructions for solving technical problems. He explores basic techniques in the field with a focus on their relative strengths and limitations. In addition, Young treats a range of advanced techniques from an easy–to–understand, nonmathematical standpoint, including transition structures, reaction coordinates, reaction rates, convergence problems, QM/MM, solvation, nonlinear optical properties, relativistic effects, mesoscale methods, and more.

Computational Chemistry features:
∗ Prioritized lists of methods for attacking difficult computational chemistry problems
∗ Brief critical reviews of most commercially available software packages, assessing each for its overall effectiveness and practical utility
∗ A review of the material from the perspective of various chemical systems (such as organic molecules, inorganics, biomolecules, polymers, liquids, or solids)

Revue de presse

"...could be read cover to cover, providing...important insights...could serve as an excellent reference volume...both researchers and students would find it valuable.... I would consider it essential to have on the shelf..." (Journal of the American Chemical Society, Vol. 123, No. 41, 2001)

"...offers a research guide rather than a primary text...students might find some of the material useful...explains to chemists how to use computational techniques to address real–world research problems." (SciTech Book News, Vol. 25, No. 4, December 2001)

"If you′re looking for an aggregation of what′s out there, and a starting point for further reading or research, then this book does a pretty good job." (Chemweb – Alchemist, 11 February 2002)
"...offers a research guide rather than a primary text...students might find some of the material useful...explains to chemists how to use computational techniques to address real–world research problems." ( SciTech Book News, Vol. 25, No. 4, December 2001)

"If you′re looking for an aggregation of what′s out there, and a starting point for further reading or research, then this book does a pretty good job." (Chemweb – Alchemist, 11 February 2002)

Détails de l'édition

• Éditeur: Wiley-Interscience
• Date d'édition: 2001
• ISBN 10: 0471333689
• ISBN 13: 9780471333685
• Reliure: Relié
• Langue: anglais
• Nombre de pages: 408