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Molecular mechanics of organic halides: Part VII. Iodides

✍ Scribed by A.Y. Meyer

Book ID
119115976
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
824 KB
Volume
94
Category
Article
ISSN
0166-1280

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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 of organic halides.
Molecular mechanics of organic halides. V. Conformational equilibria in solution
✍ A. Y. Meyer πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 701 KB

## Abstract With a view of using data on solutions and liquids for parameter fitting in molecular mechanical force fields, Abraham's theory of solvation is incorporated in the force field procedure. Geometries and bond moments are estimated internally, partial account being taken of bond–bond induc