Photodissociation of methylnitrite: an mc scf calculation of the S1 potential surface
1986; Elsevier BV; Volume: 131; Issue: 4-5 Linguagem: Inglês
10.1016/0009-2614(86)87169-x
ISSN1873-4448
AutoresMarco Nonella, J. Robert Huber,
Tópico(s)Spectroscopy and Quantum Chemical Studies
ResumoUsing the MC SCF method, the S1 potential-energy surface of cis-methylnitrite has been calculated to be dissociative, giving rise to the process CH3ONO→ CH3O + NO. Features of this surface are discussed in the light of recent experimental findings.
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