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On the representation of force fields for chemically reacting systems

✍ Scribed by Ian H. Williams


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
401 KB
Volume
88
Category
Article
ISSN
0009-2614

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✦ Synopsis


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 reaction. for example formaldehyde hydration.


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