A modified MM2 force field for bleomycin analysis
β Scribed by Robert Charles; Marcela Ganly-Cunningham; Rachel Warren; Marc Zimmer
- Book ID
- 107806696
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 584 KB
- Volume
- 265
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Geometries and heats of formation for allenes may now be calculated with an extended version of MM2. The torsional barriers about bonds in an acetylenic unit are much more complicated than originally thought, if the unit is nonlinear. Ab initio calculations have been used to show just what these tor
## Abstract Application of Allinger's MM2/MM3 force fields to molecules of real interest is frequently hindered by the lack of parameters for various heterocyclic systems and for polyβfunctionalized molecules. A common approach to this problem is to manually choose missing parameters βby analogyβ w