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Molmec, a general approach to molecular mechanics computations

✍ Scribed by DeLos F. DeTar


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
557 KB
Volume
1
Category
Article
ISSN
0097-8485

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General molecular mechanics approach to
✍ Gajewski, Joseph J.; Gilbert, Kevin E.; Kreek, Thomas W. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 156 KB

Transition metal complexes have been treated by a molecular mechanics approach using an MM2-like valence force field for the ligands and a Urey᎐Bradley force field about the metal. Metal᎐ligand atom bonds are parameterized with dependence on the metal covalent radius. The current metal᎐ligand distan