Assessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical Ions
Capdevila-Cortada, Marçal, Ribas-Arino, Jordi, Novoa, Juan J.Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct4010257
Date:
February, 2014
File:
PDF, 2.99 MB
english, 2014