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The calculation of unique force constants

✍ Scribed by T.R. Ananthakrishnan; G. Aruldhas

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
446 KB
Volume
13
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

Calculation of macromolecular force cons
Calculation of macromolecular force constants
✍ B. F. Putnam; L. L. Van Zandt πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 711 KB

## Abstract Force constant refinement may be carried under a system of constraints imposed on well characterized modes as the refinement proceeds. Resulting stability permits the accurate calculation of many independent macromolecular force constants. A useful formalism for this technique is develo

Force constant calculations for ferrocen
Force constant calculations for ferrocene
✍ I.J. Hyams πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 171 KB

This represents the fist attempt to determine it force field for ferrocrne which does not either assume the cyclepentidiene rings are free or that the rings can be approximated to point masses.