๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Transferability of infrared intensity parameters. Application to propylene

โœ Scribed by P. Jona; M. Gussoni; G. Zerbi


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
402 KB
Volume
95
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Analytic mc scf infrared intensities: ap
โœ Byron H. Lengsfield III; Stephen Havriliak; Michael E. Colvin; Henry F. Schaefer ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 567 KB

Efficient, analytic methods to compute infrared intensities for general MC SCF wavefunctions are developed. These methods are used to compute the vibrational spectra of H&O with a variety of basis sets and MC SCF wavefunctions. The MC SCF spectra are compared with the experimental results of Nakanag