𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of the electronic structure of the (SO2)(SO−2) dimer. A one-electron SS bond formation?

✍ Scribed by Nathalie Berthe-Gaujac; Isabelle Demachy; Yves Jean; François Volatron

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
363 KB
Volume
221
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio study of the (SO2)(SO2− dimer:
Ab initio study of the (SO2)(SO2− dimer: structures involving a two-electron SO bond
✍ Nathalie Berthe-Gaujac; Yves Jean; François Volatron 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 310 KB

The structure of the (SO2) 2 dimer involving one or two S-O bonds has been investigated by means of ab initio calculations at the PUMP4/6-31 + G\*//UMP2/6-31 + G\* level. Two minima with one S-O bond are found; their formation energies are in reasonable agreement with experimental data. Two bifurcat

Ab initio study of the electronic struct
Ab initio study of the electronic structure and spectrum of the S2N− ion
✍ A.B. Sannigrahi; S.D. Peyerimhoff 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 249 KB

The ground-state electronic structure. vertical excitation energies and associated oscillator strengths or lifetimes have been calculated for the S,N-ion by the ab mitio MRD CI method using a basis set of near Hartree-Fock quality. At the highest level oftheory (estimated full CI), S2N-1s predicted