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Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites

โœ Scribed by Claudio J. A. Mota; Pierre M. Esteves


Book ID
110260400
Publisher
Springer
Year
1997
Weight
81 KB
Volume
7
Category
Article
ISSN
0925-5125

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Our AM1 results show that : ( i ) Electron-withdrawing p&z effect of u -substitueuts leads to tbeamodynamic destabilization, B Al? > 0, of bensylic carimcations. (ii) The increments of positive charge on C. aud on metboxy-0 accompauying the csrbocation formation are linearly correlated with the elec