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- W2004342372 abstract "We report X 1A' and 2 1A' potential energy surfaces for HCN. Thermal isomerisation on the ground-state surface is discussed. An avoided crossing between X 1A' and 2 1A' suggests alternative isomerisation mechanisms via this excited state. The X1A'-21A' interaction may also allow the formation of CN(X 2Σ+) in photodissociation of XCN molecules." @default.
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- W2004342372 title "SCF CI potential energy surfaces for the HCN α HCN isomerisation reaction" @default.
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- W2004342372 doi "https://doi.org/10.1016/0009-2614(81)80136-4" @default.
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