✦ LIBER ✦

Non-empirical SCF and CI study of the SOH radical

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

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 870 KB
Volume: 20
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(77)87027-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A non-empirical SCF and CI study of the

A non-empirical SCF and CI study of the electronic spectrum of pyrrole

✍ Werner Butscher; Karl-Heinz Thunemann 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 519 KB

Various electronically excited states of pyrrole have been studied by ab initio SCF and CI calculations including rr -. n\* and zr -Rydberg excitatiorz Optically allowed vaIenc= type transitions are found at energies higher Thea 65 eV\_ whereas all the Iower singIet states are of Rydberg type. In ad

Non-empirical SCF studies of the ring an

Non-empirical SCF studies of the ring and open forms of ozone

✍ Albert K.Q. Siu; Edward F. Hayes 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 226 KB

Ab initio scf and CI study of the ground

Ab initio scf and CI study of the ground and excited states of the HN2 radical

✍ K. Vasudevan; S.D. Peyerimhoff; R.J. Buenker 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 953 KB

Ab initio SCF and CI study of the ground

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

✍ A.B. Sannigrahi; K.H. Thunemann; S.D. Peyerimhoff; R.J. Buenker 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 754 KB

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 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 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

An SCF and CI study of the properties of

An SCF and CI study of the properties of the HCl and CI2 molecules

✍ J.H. Williams; R.D. Amos 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 326 KB

## The onc-elcctron propcrtlcs and polarlzabllltxs of the HCI and Cl2 molecules have been calculated using both SCF and Cl wnvcfunctlons Agreement wtb experunental data. where such data east, 1s found to be very good