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• W2059692523 abstract "The LAGROBO functional formulation of the interaction for four atom reactions is revisited and a strategy to fit the potential energy surface of the OH + HCl reaction to measured rate coefficients is discussed. The flexibility of the LAGROBO functional has allowed to keep the changes highly localized and to estimate the effect of varying the height of the barrier to reaction on the value of the related rate coefficients. An interesting agreement with the low temperature data is also found." @default.
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• W2059692523 date "2002-07-01" @default.
• W2059692523 modified "2023-10-15" @default.
• W2059692523 title "A LAGROBO strategy to fit potential energy surfaces: the OH+HCl reaction" @default.
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• W2059692523 doi "https://doi.org/10.1016/s0009-2614(02)00835-7" @default.
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