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84962451903
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note
-
-) = -387.8 kcal/mol, which 'seems fairly inaccurate as compared to the empirical value derived from the experimental data (-404.7 kcal/mol).
-
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55
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56
-
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84962363440
-
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note
-
s values were calculated with the PCM-UA0 method.
-
-
-
|