Article ID Journal Published Year Pages File Type
5391451 Chemical Physics Letters 2008 6 Pages PDF
Abstract
The geometrical and energetic features of ion-π complexes of aromatic compounds depends upon the use of the basis set superposition error (BSSE) counterpoise (CP) correction during (RCP-OPT) or after the optimization (Re).
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-π complexes
Authors
, , , ,