Name
Abstract | ||
|---|---|---|
Studies have been carried out on alkyl peroxides with MM3 that have led to a parameter set that allows the calculation of geometries, energies, vibrational frequencies, and heats of formation for alkyl hydroperoxides (R-O-O-H) and dialkyl peroxides (R1-O-O-R2). The results obtained are in agreement with the available experimental and theoretical data. A similar, although less good, parameter set has been developed for MM2. |
Year | DOI | Venue |
|---|---|---|
1993 | 10.1002/jcc.540140702 | Journal of Computational Chemistry |
Field | DocType | Volume |
Force field (physics),Molecular mechanics,Alkyl,Organic peroxide,Computational chemistry,Chemistry,Standard enthalpy of formation | Journal | 14 |
Issue | ISSN | Citations |
7 | 0192-8651 | 3 |
PageRank | References | Authors |
0.60 | 0 | 2 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Kuo-Hsiang Chen | 1 | 196 | 29.46 |
| Norman L. Allinger | 2 | 212 | 36.95 |