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. Allinger | 1 | 212 | 36.95 |
Yi Fan | 2 | 158 | 23.66 |