๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4)

โœ Scribed by Norman L. Allinger; Kathleen A. Durkin

Book ID
101319743
Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
299 KB
Volume
21
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Benzene, aromatic rings, van der Waals m
Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3)
โœ Norman L. Allinger; Jenn-Huei Lii ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 709 KB

Benzene has been studied with the MM3 force field, first as a monomer, then as a van der Waals dimer, then in the crystal. The non-bonded aromatic portion of the MM3 force field has been derived to fit reasonably well the known properties for the above. The force field includes dipoles of 0.6 and 0.