Our previously outlined method ( \(J\). Mol. Struct. THEOCHEM 99, 265-270, 1989) for employing analytic quantum chemical gradients to calculate the geometries, energies, and quartic spectroscopic constants for centrifugally distorted molecules is extended to describe noncentrosymmetric linear triato
Centrifugal distortion in weakly bound linear triatomic molecules
โ Scribed by Stewart E Novick
- Book ID
- 107801817
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 213 KB
- Volume
- 68
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The contribution of the harmonic intermolecular bending force field to the quartic centrifugal distortion constants of weakly bound dimers Al3 (where A is a symmetric-top molecule and B is a linear molecule) has been examined. Approximate formulae are derived that relate the force constant and the v
The equilibrium octic centrifugal distortion coefficients of a molecule are coefficients of terms of the type H08 in the expansion of the effective Hamiltonian. They depend on the quartic potential constants k 0 klmn for the vibrational modes that have non-zero inertial derivatives, and therefore gi