๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Accurate determination of molecular structure and vibrational force constants by computation

โœ Scribed by James E. Boggs

Publisher
Springer-Verlag
Year
1987
Tongue
English
Weight
699 KB
Volume
14
Category
Article
ISSN
0342-1791

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

The computed force constants and vibrati
The computed force constants and vibrational spectra of toluene
โœ Yaoming Xie; James E. Boggs ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 574 KB

The complete harmonic force field and dipole moment derivatives have been computed for toluene at the Hartree-Fock level using a 4-21G basis set. The six scale factors optimized for benzene were used to scale the computed harmonic force constants of toluene. The vibrational frequencies of toluene co

Studies on the Vibrational and Rovibrati
Studies on the Vibrational and Rovibrational Energies and Vibrational Force Constants of Diatomic Molecular States Using Algebraic and Variational Methods
โœ Weiguo Sun; Shilin Hou; Hao Feng; Weiyi Ren ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 174 KB

Alternative expressions for vibrational and rotational spectrum constants and energies of diatomic molecular electronic states based on perturbation theory are suggested. An algebraic method (AM) is proposed to generate a converged full vibrational spectrum from limited energy data, and a potential