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Generalized inverse method for computation of molecular force field

โœ Scribed by Barbara Gellai


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
864 KB
Volume
42
Category
Article
ISSN
0022-2860

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A new structural force field for metallocenes is presented, searched with a cartesian stochastic search routine and energy barriers have been computed by scanning the which involves harmonic bonding potentials from the metal center to each of the carbon atoms, no angular potentials pseudo-torsional