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- W2031745070 abstract "The linear-synchronous-transit method (LST) based on the PRDDO nonempirical wavefunctions was used to investigate the background of the methanediol dehydration. While the decomposition paths of the systems CH2(OH )2-H2O, CH2 (OH)2-H3O+, and CH2 (OH)2-OH− exhibit no transition states, certain activation energies are predicted for the dehydrations of the single particles CH2 (OH)2 and HOCH2OH2+." @default.
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- W2031745070 date "1991-03-01" @default.
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- W2031745070 title "A theoretical study of the methanediol decomposition mechanism" @default.
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- W2031745070 doi "https://doi.org/10.1016/0166-1280(91)85290-n" @default.
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