Molecular Modelling: Principles and Applications - Couverture souple

Leach, Andrew

 
9780582239333: Molecular Modelling: Principles and Applications
Couverture souple
ISBN 10 : 0582239338 ISBN 13 : 9780582239333
Editeur : Pearson Education Limited, 1996

Synopsis

A broad and practical introduction to the major techniques employed in molecular modelling and computational chemistry. Split into two parts, the first covers the two major methods used to describe the interactions within a system - quantum mechanics and molecular mechanics. The second deals with the techniques that use such energy models, including minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis.Molecular Modelling also discusses the use of more advanced methods, such as the calculation of free energies, simulation of chemical reactions and the use of database searching to design new molecules. Visit the accompanying website now at http://www.booksites.net/leach.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

A broad and practical introduction to the major techniques employed in molecular modelling and computational chemistry. Split into two parts, the first covers the two major methods used to describe the interactions within a system - quantum mechanics and molecular mechanics. The second deals with the techniques that use such energy models, including minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis. Molecular Modelling also discusses the use of more advanced methods, such as the calculation of free energies, simulation of chemical reactions and the use of database searching to design new molecules.

Visit the accompanying website now at http://www.booksites.net/leach.

Revue de presse

"Leach has already done the future of chemistry considerable service: I know of no better introduction to this subject"(Peter Atkins, University of Oxford)

"...this is a well-produced book - there are some attractive colour plates of molecular displays - whose great strength is the treatment of the principles, theory and alogrithms of modern molecular modelling. It is an important addition to the literature for both teaching and research." (Computers and Chemistry)

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Pearson Education Limited
Date d'édition
1996
Langue
anglais
ISBN 10 
0582239338
ISBN 13 
9780582239333
Reliure
Broché
Nombre de pages
616
Coordonnées du fabricant
non disponible
Personne responsable
non disponible