A computationally efficient alternative to the Buckingham potential for molecular mechanics calculations.

White, D N

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