Name
Abstract | ||
|---|---|---|
The MM3 force field has been extended to cover alkyl radicals. Structures, conformational energies, vibrational spectra, and heats of formation have been well fit, mostly to ab initio data. (C) 1994 by John Wiley and Sons, Inc. |
Year | DOI | Venue |
|---|---|---|
1994 | 10.1002/jcc.540150304 | Journal of computational chemistry |
Keywords | Field | DocType |
alkyl radical,molecular mechanic,molecular mechanics | Force field (physics),Physical chemistry,Alkyl,Ab initio quantum chemistry methods,Computational chemistry,Molecular geometry,Chemistry,Bond length,Standard enthalpy of formation,Ab initio,Pseudorotation | Journal |
Volume | Issue | ISSN |
15 | 3 | 0192-8651 |
Citations | PageRank | References |
4 | 1.07 | 0 |
Authors | ||
2 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Ruifeng Liu | 1 | 4 | 2.42 |
| Norman L. Allinger | 2 | 212 | 36.95 |