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Molecular mechanics (MM2) calculations on siloxanes
Author(s) -
Frierson Manton R.,
Allinger Norman L.
Publication year - 1989
Publication title -
journal of physical organic chemistry
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610020710
Subject(s) - chemistry , molecular mechanics , force field (fiction) , computational chemistry , field (mathematics) , thermodynamics , molecular dynamics , physics , quantum mechanics , mathematics , pure mathematics
The MM2 force field has been extended so that calculations may be carried out on siloxanes. The parameters chosen give a good fit to available experimental data.