Molecular mechanics (MM3) calculations on conjugated hydrocarbons
Abstract The MM3 molecular mechanics program has been extended to conjugated systems. A VESCF method is applied to the pi‐system to calculate bond orders, from which various str...
Publications
2 shownMolecular mechanics. The MM3 force field for alkenes
Abstract The MM3 force field has been extended to include alkenes. Forty‐five compounds were examined, and structures, conformational equilibria, heats of formation, and rotatio...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 363
- Institution
- University of Georgia
External Links
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.