๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A molecular mechanics (MM3) study of fluorinated hydrocarbons

โœ Scribed by K.-H. Chen; G.A. Walker; N.L. Allinger


Book ID
114143634
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
168 KB
Volume
490
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


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.

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’

Intensities of infrared bands in molecul
โœ Jenn-Huei Lii; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 425 KB

## Abstract The MM3 molecular mechanics program calculates a fair representation of vibrational frequencies for molecules. To make this information more useful, a qualitative intensity calculation has been added, as is described herein. Because each bond in the molecule is assigned a dipole moment,