๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Force-field calculations for some unsaturated cyclic hydrocarbons

โœ Scribed by Frank A.L. Anet; Issa Yavari

Publisher
Elsevier Science
Year
1978
Tongue
French
Weight
617 KB
Volume
34
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Quadrupole moment calculations for some
Quadrupole moment calculations for some aromatic hydrocarbons
โœ A. Chablo; D.W.J. Cruickshank; A. Hinchliffe; R.W. Munn ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

Quadrupole tensor calculatmns are reported for benzene, naphthalene, anthrdcenc, phenanthrene, biphenyl (planar and twisted), p> rene, [ 18]-annulene dnd azulene. Double-zeta and STOJ4G basis sets give similar ratios between naphthalene and benzene components. ST0/4G calculations \_give out-of-phne

Molvib - A flexible program for force fi
Molvib - A flexible program for force field calculations
โœ T. Sundius ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 345 KB

A description is given of MOLVIB, a Fortran program for classical harmonic force field calculations on free and crystalline molecules. All the calculations are done in mass-weighted Cartesian coordinates, which eliminates most problems with redundant coordinates. The force field is refined by a modi