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Molecular Mechanics Force Field for Platinum Coordination Complexes

✍ Scribed by Cundari, Thomas R.; Fu, Wentao; Moody, Eddie W.; Slavin, Lori L.; Snyder, Leigh Anne; Sommerer, Shaun O.; Klinckman, Thomas R.

Book ID
125809010
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
511 KB
Volume
100
Category
Article
ISSN
0022-3654

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A molecular mechanics force field for li
A molecular mechanics force field for lignin
✍ Loukas Petridis; Jeremy C. Smith πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 371 KB

## Abstract A CHARMM molecular mechanics force field for lignin is derived. Parameterization is based on reproducing quantum mechanical data of model compounds. Partial atomic charges are derived using the RESP electrostatic potential fitting method supplemented by the examination of methoxybenzene