𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the harmonic and anharmonic force fields of phosphorus pentafluoride

✍ Scribed by Jürgen Breidung; Walter Thiel

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
711 KB
Volume
320
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The harmonic and the anharmonic force fi
The harmonic and the anharmonic force field of FSN
✍ Riccardo Tarroni; Paolo Palmieri; Markus M. Hühn; Nicholas C. Handy 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 670 KB

The molecular geometry and the harmonic and the anharmonic components of the force field of FSN have been evaluated by the SCF and, to account for electron correlation, by the MP2 and CASSCF methods. Comparison with experiment of the theoretical geometry, dipole and force constants shows that SCF an

The Anharmonic Force Fields of Arsine, S
The Anharmonic Force Fields of Arsine, Stibine, and Bismutine
✍ J. Breidung; W. Thiel 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 727 KB

The cubic and quartic force fields of \(\mathrm{AsH}_{3}, \mathrm{SbH}_{3}\), and \(\mathrm{BiH}_{3}\) are determined from ab initio calculations using effective core potentials and polarized double-zeta valence basis sets. The computed geometries, dipole moments, rotational constants, vibration-rot

An ab initio study of the geometry, harm
An ab initio study of the geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of cis- and trans- thiolformic acid
✍ Charles W. Bock; Mendel Trachtman; Philip George 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 774 KB

## Abstract The geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of __cis__‐ and __trans__‐thiolformic acid are studied __ab initio__ in the 4‐31G basis set. An extensive comparison is made between changes in diagonal and off‐diagonal quadratic and cubic force