๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Molecular Mechanics (MM4) Study of Fluorinated Hydrocarbons

โœ Scribed by Chen, Kuo-Hsiang; Lii, Jenn-Huei; Walker, Gerald A.; Xie, Yaoming; Schaefer, Henry F.; Allinger, Norman L.


Book ID
121378739
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
643 KB
Volume
110
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Molecular mechanics (MM4) study of amine
โœ Kuo-Hsiang Chen; Jenn-Huei Lii; Yi Fan; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 354 KB

## Abstract The MM4 force field has been extended to include aliphatic amines. About 20 amines have been examined to obtain a set of useful molecular mechanics parameters for this class. The vibrational spectra of seven amines (172 frequencies) calculated by MM4 have an overall rms error of 27 cm^โˆ’

Molecular mechanics studies (MM4) of sul
โœ Allinger, Norman L.; Fan, Yi ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 307 KB

The MM4 force field has been extended to the title class of compounds. The vibrational spectra, structures, conformational equilibria, and heats of formation have been studied for 47 conformers of 29 compounds. In general, the properties may be calculated with accuracy that is competitive with that

Molecular mechanics (MM3) study of organ
โœ Kuo-Hsiang Chen; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 117 KB

The MM3 force field has been extended to permit the treatment of organogermanes. The vibrational spectra, molecular structures, moments of inertia, dipole moments and conformational energies of 21 compounds were studied. The available experimental data are mostly well reproduced.