COMPARISON OF COMPLETE CONFORMATIONAL SEARCHING AND THE ENERGY-OPTIMIZED TREE BRANCH METHOD IN MOLECULAR MECHANICS CALCULATIONS

Authors
VILLAMAGNA F WHITEHEAD MA
Citation
F. Villamagna et Ma. Whitehead, COMPARISON OF COMPLETE CONFORMATIONAL SEARCHING AND THE ENERGY-OPTIMIZED TREE BRANCH METHOD IN MOLECULAR MECHANICS CALCULATIONS, Journal of the Chemical Society. Faraday transactions, 90(1), 1994, pp. 47-54
Citations number
25
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Journal of the Chemical Society. Faraday transactions → ACNP
ISSN journal
09565000
Volume
90
Issue
1
Year of publication
1994
Pages
47 - 54
Database
ISI
SICI code
0956-5000(1994)90:1<47:COCCSA>2.0.ZU;2-N
Abstract
An efficient method, the energy-optimized tree branch method to obtain the global, energy-minimized, molecular structure for a molecule by m olecular modelling, is described.