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- W2023578411 abstract "Abstract The additions to ethylene of HF catalyzed by a HCl molecule, and of HCl catalyzed by a HF molecule, were studied by the ab initio MP2(full)/6-31G ∗ method. The addition of HCl is favored by catalysis. The formation of a new HF molecule not only provides electronic energy stabilization, but also makes possible a looser transition structure with favorable zero-point and thermal energies, and entropy." @default.
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- W2023578411 date "1996-11-01" @default.
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- W2023578411 title "Theoretical study of the gas-phase addition of HF and HCl to ethylene: analysis of the catalytic action of a second hydrogen halide molecule" @default.
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- W2023578411 doi "https://doi.org/10.1016/s0166-1280(96)04749-5" @default.
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