On the TD-DFT Accuracy in Determining Single and Double Bonds in Excited-State Structures of Organic Molecules
Guido, Ciro A., Jacquemin, Denis, Adamo, Carlo, Mennucci, BenedettaТом:
114
Мова:
english
Журнал:
The Journal of Physical Chemistry A
DOI:
10.1021/jp109218z
Date:
December, 2010
Файл:
PDF, 731 KB
english, 2010