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- W1583337621 abstract "A potential energy surface has been derived using ab initio and spectroscopic data for the lowest 2A′ state of LiH2. Quasi-classical trajectories have been carried for the astrophysically important reaction LiH(X,1Σ+)+H(2S)→Li(2S)+H2(X,1Σ+g). Between 150 and 4000 K the rate is 2–6×10−10–6×10−10cm3molecule−1s−1 and a satisfactory analytical fit to this is 8.4×10−13Texp(−0.0004T) while below 150 K the rate goes as 4.36×10−11T0.28cm3molecules−1 which is close to that expected from the long-range behaviour of the electronic energy. The reaction is exothermic by about 2 eV which is disposed of largely in high vibrational states of H2(X,1Σ+g)." @default.
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- W1583337621 date "2001-03-01" @default.
- W1583337621 modified "2023-10-06" @default.
- W1583337621 title "Analytical potential energy surface and quasi-classical dynamics for the reaction LiH(X,1Σ+)+H(2S)→Li(2S)+H2(X,1Σ+g)" @default.
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- W1583337621 doi "https://doi.org/10.1016/s0009-2614(01)00102-6" @default.
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