UID:
almafu_9959328245402883
Umfang:
1 online resource (xix, 419 pages) :
,
illustrations
ISBN:
9780470126059
,
9780470125786
,
0470125780
,
0470126051
Inhalt:
This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts. In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discus.
Anmerkung:
Reviews in Computational Chemistry; Contents; Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions; Semiempirical Molecular Orbital Methods; Properties of Molecules by Direct Calculation; The Application of Quantitative Design Strategies in Pesticide Discovery; Chemometrics and Multivariate Analysis in Analytical Chemistry; Searching Databases of Three-Dimensional Structures; Molecular Surfaces; Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Peturbation Methods; Aspects of Molecular Modeling.
Weitere Ausg.:
Print version: Reviews in computational chemistry. Volume 1. New York, N.Y. : VCH, ©1990 ISBN 9780895737540
Weitere Ausg.:
ISBN 9780471187288
Sprache:
Englisch
Schlagwort(e):
Electronic books.
;
Electronic books.
;
Electronic books.
DOI:
10.1002/9780470125786
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470125786
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470125786
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470125786
