๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab initio calculation on the low-lying excited states of BCl radical

โœ Scribed by Yufang Liu; Xiaomei Zhang; Kun Yu


Book ID
116380161
Publisher
Elsevier
Year
2012
Tongue
English
Weight
836 KB
Volume
991
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Ab initio study of low-lying electronic
โœ Z.-L. Cai ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 415 KB ๐Ÿ‘ 1 views

The equilibrium geometries, excitation energies, force constants, and vibrational frequencies of the low-lying electronic states X2B1, 2A1, 2B2, and 2A2 of the PF2 radical have been calculated at the MRSDCI level with a double zeta plus polarization basis set. Our calculated geometry, force constant

AB initio calculations of the dipole mom
โœ Koichi Yamashita; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 297 KB

The structures and dipole moments of the four low-lying electronic states (X 211, A \*A, B 'C -and C \*Z ' ) of the linear CCN radical are investigated by ab initio calculations at SDCIlDZP and TZP levels. For all the electronically excited states, the dipole moments are calculated to be z 3.0 D. Ho