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- W1546193669 abstract "The structure, energetics and harmonic vibrations of (N2)2 have been computed at a correlated ab initio level. The lowest potential-energy structure found exhibits a T-shape of the C2 symmetry with a stabilization energy of 3.5 kJ mol−1, reduced by an estimate of basis set superposition error to 0.4 kJ mol−1. However, three other types of local energy minima are reported with quite small energy separations from the supposed global one. The study supplies a consistent and complete information set for the dimer stability evaluations." @default.
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- W1546193669 date "1993-06-01" @default.
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- W1546193669 title "Computational studies of atmospheric chemistry species" @default.
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- W1546193669 doi "https://doi.org/10.1016/0166-1280(93)85011-m" @default.
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