𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular mechanics of saturated organic halides: Part II. Fluorides

✍ Scribed by A.Y. Meyer

Book ID
103204850
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
847 KB
Volume
49
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Molecular mechanics of organic halides.
Molecular mechanics of organic halides. III. Fluorinated olefins
✍ A. Y. Meyer πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 572 KB

## Abstract A molecular mechanical force field for fluorinated ethylenes and propylenes is described. The field computes geometries, dipole moments, and energy differences between isomers and rotamers. Component analysis indicates that β€œclassical” strains alone (skeletal, nonbonded, electrostatic)

Molecular mechanics studies of acyl hali
Molecular mechanics studies of acyl halides: II. Vibrational spectra
✍ Shim, Joong-Youn; Bowen, J. Phillip πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 221 KB πŸ‘ 2 views

A newly developed acyl halide molecular mechanics MM3 force field can accurately calculate molecular geometry, usually to within experimental error. The new force field can also calculate vibrational frequencies. The acyl halides studied were formyl halides, acetyl halides, propionyl halides, n-buty