Title
Viewing the energy optimization of chemical models with computer animation
Abstract
Computer animation is applied to a chemical situation which involves the energy optimization of molecular models. This technique has been used in conjunction with a large interactive chemical modelling system (AIMS) which performs the energy optimizations. The goal of energy optimization is to find more stable molecular structures by methodically altering the geometry to conform to a lower internal energy. Three types of optimizations are studied with this technique, each method employing its own assumptions, geometry manipulations and energy calculations. In each case the process is viewed after the display frames were computed in advance as the model geometry changed.
Year
DOI
Venue
1983
10.1016/0097-8485(83)85009-8
Computers & Chemistry
Keywords
Field
DocType
computer animation,energy optimization
Chemical models,Computer science,Internal energy,Algorithm,Potential energy,Computational science,Software architecture,Genetics,Computer animation,Energy minimization
Journal
Volume
Issue
ISSN
7
4
0097-8485
Citations 
PageRank 
References 
1
0.63
0
Authors
3
Name
Order
Citations
PageRank
John T. Egan111.30
Stanley K. Burt2686.43
Robert D. Mac Elroy310.63