Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5389223 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
B1B95 appears to be the most satisfactory DFT functional for the description of the geometries of ring systems containing a (SN)2 unit.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Karla Tersago, Christopher De Dobbelaere, Christian Van Alsenoy, Frank Blockhuys,