𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio SCF and CI study of the ground and first excited state of the HSO radical

✍ Scribed by A.B. Sannigrahi; K.H. Thunemann; S.D. Peyerimhoff; R.J. Buenker

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
754 KB
Volume
20
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Ab initio SCF study of the geometries of
Ab initio SCF study of the geometries of methyl radical in the ground and 2E excited states
✍ Yasuyuki Ishikawa; R.C. Binning Jr. πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 413 KB

Ab initio SCF c&zulations using the generalized coupling operator method have been p&formed OR the ground and two excited states of methyl radical. Geometries of the ground and one excited state have been optimized. Vertical transition energies have also been calculated.

Ab initio SCF and CI study of the electr
Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical
✍ A.B. Sannigrahi; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 314 KB

Equilibrium geometries of the ground 0: "A, ) and the first excited electronic state (%I& the barrier to linearity in the ground state, vertical excitation ener@es and associated osctitor strengths or Metties of various excited states have been calculated for the chlorine ditluoride radical CIFz by

Ab initio SCF and MRD CI studies of the
Ab initio SCF and MRD CI studies of the FHClβˆ’ ion
✍ Abani B. Sannigrahi; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 398 KB

The equilibrium geometry and hydrogen-bonding energy of the heterobiialide ion FHCl-have been calculated by ab initio SCF and hIRD CI methods using an A0 basis set of near Hartree-Fock quality. In the most stable (linear) conformation of this ion, the equilibrium F-Cl/F-H distances are predicted to