A computationally efficient alternative to the Buckingham potential for molecular mechanics calculations. [electronic resource]
- Journal of computer-aided molecular design Sep 1997
- 517-21 p. digital
Publication Type: Journal Article
0920-654X
10.1023/a:1007911511862 doi
Aldehydes--chemistry Hydrocarbons--chemistry Ketones--chemistry Molecular Structure Software Thermodynamics Time Factors