The reliability of DFT methods to predict electronic structures and minimum energy crossing point for [Fe IV O](OH) 2 models: A comparison study with MCQDPT method
Liu, Kun, Li, Yu-Xue, Su, Jia-Ling, Wang, BinVolume:
35
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23535
Date:
April, 2014
File:
PDF, 842 KB
english, 2014