High-Level Systematic ab Initio Comparison of Carbon- and Silicon-Centered SN2 Reactions
Attila Á. Dékány, Gyula Z. Kovács, and Gábor Czakó*
MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary
* E-mail: gczako@chem.u-szeged.hu
3
CH2
H     0.0000000000    -0.8616252346     0.5968483633
C     0.0000000000    -0.0000000000    -0.1001727315
H     0.0000000000     0.8616252346     0.5968483633