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- W2017069863 abstract "Abstract The conversion between carbonic acid and carbon dioxide plus water is of special significance in many biological and geochemical systems. In this work, we give a theoretical comparison study between H 2 CO 3 and H 2 SO 3 for the dissociation reaction in the environment of microsolvation with the size of the water cluster up to three water molecules, H 2 XO 3 + (n‐1)H 2 O ⇌ XO 2 +nH 2 O n = 1, 2, 3 X=C, S From the calculation of B3LYP/6‐31+G, we conclude that H 2 SO 3 is more unstable than H 2 CO 3 kinetically due to a smaller bond angle change of ∠OXO. It is also more unstable thermodynamically due to better solvation for the product XO 2 ." @default.
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- W2017069863 date "2002-10-01" @default.
- W2017069863 modified "2023-09-25" @default.
- W2017069863 title "Comparative Study between Carbonic and Sulfurous Acids for Dissociation Reaction" @default.
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- W2017069863 doi "https://doi.org/10.1002/jccs.200200111" @default.
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