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- W1968210906 abstract "The surface of the lowest excited singlet state in methane is analyzed using a basis set composed of 4-31G augmented by a set of one s and three p Rydbergs. The state (1T2 in Td symmetry, 1B1 in C2v) is found to be dissociative to 1B1 CH2 and ground state H2. Vertically a Rydberg state, 1B1 rapidly becomes a valence state on distortions from tetrahedral symmetry. Avoided crossings with higher B1 states are discussed." @default.
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- W1968210906 date "1977-11-01" @default.
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- W1968210906 title "Excited states and photochemistry of saturated molecules. extended basics calculations on the 1B1 (1T2) state of methane" @default.
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- W1968210906 doi "https://doi.org/10.1016/0009-2614(77)85143-9" @default.
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