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
SiH2
H      0.0000000000    -1.0934866808     0.9813247839
Si     0.0000000000     0.0000000000    -0.0704360971
H      0.0000000000     1.0934866808     0.9813247839