๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Molecular Mechanics (MM4) Studies of Carboxylic Acids, Esters, and Lactones

โœ Scribed by Lii, Jenn-Huei

Book ID
120494164
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
150 KB
Volume
106
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Molecular mechanics studies (MM4) of sul
Molecular mechanics studies (MM4) of sulfides and mercaptans
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 the l
Molecular mechanics (MM3) study of the lactones of endo-bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
โœ Shailesh C. Kulkarni; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 89 KB ๐Ÿ‘ 1 views

endo-Bicyclo[2.2.2] oct-5-ene-2-carboxylic acid, in acidic solution, cyclizes to give a mixture of three isomeric lactones. These three isomers have different stabilities and are partly interconvertible, but their simultaneous decomposition makes the experimental study of these equilibria difficult

Molecular mechanics (MM4) study of amine
Molecular mechanics (MM4) study of amines
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’