Premium
Molecular mechanics (MM3) study of organogermanes
Author(s) -
Chen KuoHsiang,
Allinger Norman L.
Publication year - 1999
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/(sici)1099-1395(199907)12:7<528::aid-poc114>3.0.co;2-#
Subject(s) - chemistry , molecular mechanics , computational chemistry , molecular dynamics
The MM3 force field has been extended to permit the treatment of organogermanes. The vibrational spectra, molecular structures, moments of inertia, dipole moments and conformational energies of 21 compounds were studied. The available experimental data are mostly well reproduced. Copyright © 1999 John Wiley & Sons, Ltd.