Structures and vibrational frequencies of CO adsorbed on transition metals from calculations using the vdW-DF2 functional

Structures and vibrational frequencies of CO adsorbed on transition metals from calculations using the vdW-DF2 functional

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1069, 1 October 2015, Pages 147-154

Xiufang Ma, Alexander Genest, Leonardo Spanu, Notker Rösch,