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
4
CH3-
C    -0.0000000191     0.0759287567    -0.0000003271
H     0.8866887870    -0.3015991802    -0.5351328055
H     0.0200965974    -0.3015977901     1.0354613979
H    -0.9067851573    -0.3015992439    -0.5003246951