Chapter
Density Functional Theory
Abstract
The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
Authors
Ayers PW; Yang W
Book title
Computational Medicinal Chemistry for Drug Discovery
Editors
Bultinck P; De Winter H; Langenaeker W; Tollenaere J
Pagination
pp. 571-616
Publisher
CRC Press
Publication Date
December 17, 2003
ISBN-10
0824758633
ISBN-13
9780824758639