Title
Molecular mechanics calculations (MM3) on sulfones
Abstract
The structures of several sulfones, including dimethyl sulfone, methyl ethyl sulfone, methyl vinyl sulfone, and diphenyl sulfone, have been fit with the MM3 force field to existing experimental data from electron diffraction and microwave spectroscopy. The vibrational spectra have also been fit for six of these compounds. The torsional parameters for the aliphatic sulfones were fit to ab initio 6-31G data. Heats of formation were also fit.
Year
DOI
Venue
1993
10.1002/jcc.540140605
Journal of Computational Chemistry
Field
DocType
Volume
Force field (physics),Rotational spectroscopy,Molecule,Electron diffraction,Computational chemistry,Diphenyl sulfone,Sulfone,Chemistry,Standard enthalpy of formation,Ab initio
Journal
14
Issue
ISSN
Citations 
6
0192-8651
3
PageRank 
References 
Authors
1.95
0
2
Name
Order
Citations
PageRank
Norman L. Allinger121236.95
Yi Fan215823.66