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A theoretical investigation of the two lowest potential energy surfaces for the reaction C(3P) + NO(2II) (Chemical Physics Letters 234 (1995) 382)

✍ Scribed by B.J. Persson; B.O. Roos; M. Simonson

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
71 KB
Volume
236
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

A theoretical investigation of the two l
A theoretical investigation of the two lowest potential energy surfaces for the reaction C(3P)+NO (2Ξ )
✍ B. Joakim Persson; BjΓΆrn O. Roos; Margaret Simonson πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 570 KB

The two lowest potential energy surfaces for C(3p)+ NO(2II) have been investigated. The stationary points were first located using CASSCF gradient calculations and the geometries reoptimized using complete active space second-order perturbation theory. Zero-point corrections have been included in th