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On the Representation of Force Fields for Chemically Reacting Systems

✍ Scribed by Ian H. Williams

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
41 KB
Volume
91
Category
Article
ISSN
0037-9646

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πŸ“œ SIMILAR VOLUMES

On the representation of force fields fo
On the representation of force fields for chemically reacting systems
✍ Ian H. Williams πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 401 KB

Relaxed" force constants ate uniquely defined for systems mvolvmg redundant coordinates, in contradlstmctton to the usual "rlgd" force constants, and thus thcu use allows me3mngful correlallons to be made between force fields calculatcd for rcxtants. tranntion state, and product of a chemical reacti

An appraisal of molecular force fields f
An appraisal of molecular force fields for the representation of polypeptides
✍ David Hall; Nicola Pavitt πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 797 KB

A number of force fields of the molecular mechanics type have been tested for their ability to represent as an energy minimum, the observed crystal structure for three cyclic hexapeptides, cyclo-(-Ala-Ala-Gly-Gly-Ala-Gly-), cyclo-(-Ala-Ala-Gly-Ala-Gly-Gly-), and cyclo-(-D-Ala-D-Ala-Gly-Gly-Gly-Gly-)

The influence of the lewis number on the
The influence of the lewis number on the dynamics of chemically reacting systems
✍ W. Harmon Ray; Stuart P. Hastings πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 684 KB

## The mfluence of Lewis number on stablhty and oscdlattons for stlrred tanks, catalytic wires and gauzes, and catalyst particles IS determmed quantltatlvely The mathematical structure IS dlscussed and Illustrated by example Relaxation oscdlations are found to be the natural asymptote to the blfur