Name
Abstract | ||
|---|---|---|
Based on results of electron diffraction, gas phase infrared spectroscopy (IR), and MP2/6-31 + G* ab initio calculations, a set of molecular mechanics (MM3) parameters was developed for molecules containing the N(sp(3))-O(sp(3)) moiety. Using this set of parameters, MM3 is able to reproduce structures (bond lengths and bond angles) and vibrational spectra satisfactorily. (C) 1994 by John Wiley and Sons, Inc. |
Year | DOI | Venue |
|---|---|---|
1994 | 10.1002/jcc.540150808 | Journal of computational chemistry |
Keywords | Field | DocType |
methyl derivative,molecular mechanic,molecular mechanics | Ab initio quantum chemistry methods,Moiety,Molecule,Electron diffraction,Computational chemistry,Infrared spectroscopy,Molecular geometry,Chemistry,Spectral line,Bond length | Journal |
Volume | Issue | ISSN |
15 | 8 | 0192-8651 |
Citations | PageRank | References |
2 | 0.81 | 0 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Guyan Liang | 1 | 9 | 5.54 |
| J. Phillip Bowen | 2 | 15 | 13.55 |
| James A. Bentley | 3 | 32 | 5.20 |