𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Configuration interaction study of the potential energy surface of the three lowest singlet A′ and A″ states of HCP

✍ Scribed by A.B. Sannigrahi; F. Grein

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
513 KB
Volume
214
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The lowest state of HC2N: Potentiality o
The lowest state of HC2N: Potentiality of triangular singlet 1A′
✍ Tsuneo Hirano; Naoya Nakagawa; Akinori Murakami; Okio Nomura 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 204 KB

Calculations on the energy of the possible isomers of HC2N revealed that the triangular 'A' state was lowest lying at I .3 kcall mol below the bent 'A" state which is theoretically lower than the linear 'I-state. The geometries were determined by the secondorder Mtiller-Plesset (MP2) perturbation me

A configuration interaction study of som
A configuration interaction study of some potential energy surfaces important to photodissociation in NCNO
✍ Vijaya Marudarajan; Gerald A. Segal 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 383 KB

Ab initio configuration interaction calculations have been carried out for the electronic potential energy surfaces of the fast six singlet states of NCNO. These onedimensional surfaces model the photodissociation of NCNO into CN and NO. The computed surfaces provide insight into the electronic stat

A theoretical study of the photodissocia
A theoretical study of the photodissociation of acetylene in its lowest excited singlet state
✍ Yoshihiro Osamura; Fujiko Mitsuhashi; Suehiro Iwata 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 353 KB

The potential energy surface of acetylene in its lowest excited singlet state (S,) is studied by using an ab initio MCSCF method to explore the mechanism of the photodissociation process, Predissociation leading to C2H and H suggested by the LIF spectrum is shown to occur on the single potential sur