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- W1966549314 abstract "A new ab initio potential-energy surface for BeHF has been used for classical trajectory calculations on Be + HF(v, J)→ BeF(v′, J′)+ H. A reactive cross-section of 0.656 Å2 is obtained for a collision energy of 83.58 KJ mol–1 on the ro-vibrational state of HF (0, 0). This cross-section is increased by a factor of ca. five for the (1, 0) and ca. twelve for the (0, 30). It has been found that many trajectories pass through a deep well for the collinear complex FBeH. The role of the complex and the rotational excitation of HF is discussed. The energy dispersal in the products is also discussed." @default.
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- W1966549314 date "1994-01-01" @default.
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- W1966549314 title "Dynamical studies of the reaction Be + HF(v, J)→ BeF(v′, J′)+ H on a new ab initio potential-energy surface" @default.
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- W1966549314 doi "https://doi.org/10.1039/ft9949000249" @default.
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