𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio MRD—CI study on H2S+. Dissociation correlation diagram for the à 2A1 and B̃2B2 electronic states

✍ Scribed by Gerhard Hirsch; Pablo J. Bruna


Publisher
Elsevier Science
Year
1980
Weight
858 KB
Volume
36
Category
Article
ISSN
0020-7381

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio configuration interaction stud
✍ Giannoula Theodorakopoulos; S.D Peyerimhoff; Robert J Buenker 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 573 KB

Large scale configuration interaction calculations with AO basis sets including f-type species are employed to study the properties of the three 7r 2 states, X 3 Z-, a 1 A and b 1 N + of $2 and SO. The calculations confirm the b 1 l~ +-X 3 N-tran-1 + 3 sition energy of SO as well as the measured To

An ab initio study of the structures and
✍ Peter Babinec; Jerzy Leszczynski 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 206 KB 👁 3 views

The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge