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A theoretical analysis of the lowest excited states in HNO/NOH and HPO/POH

✍ Scribed by Alberto Luna; Manuela Merchán; Björn O. Ross

Book ID
103667018
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
612 KB
Volume
196
Category
Article
ISSN
0301-0104

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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