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The E2C mechanism. Charge distribution at Cα in E2C, SN2 and solvolysis transition states

✍ Scribed by D.J. Lloyd; A.J. Parker

Publisher
Elsevier Science
Year
1970
Tongue
French
Weight
239 KB
Volume
11
Category
Article
ISSN
0040-4039

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In the present work, we mainly study dissociation of the C 2 B 1 , D 2 A 1 , and E 2 B 2 states of the SO 2 1 ion using the complete active-space self-consistent field (CASSCF) and multiconfiguration second-order perturbation theory (CASPT2) methods. We first performed CASPT2 potential energy curve