The influence of solvation on the calculated activation energy for the reaction CH3F+F?
作者： P. Cremaschi , A. Gamba , M. Simonetta
DOI: 10.1007/BF00527290
关键词:
摘要: The influence of the solvent on activation energy synchronous, concerted, narcissistic reaction: CH3F + F−→¦CH3F2¦−→FCH3+F−, has been investigated by means CNDO/2 method. reaction path fully followed in vacuo, and at a suitable point only, coordinate, solution. geometries H2O, F−, CH3F, ¦CH3F2¦−, vacuo different hydrated cages, have optimized.
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