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

Author(s):: Ma, Xiufang; Genest, Alexander; Spanu, Leonardo; Rösch, Notker
Title:: Structures and vibrational frequencies of CO adsorbed on transition metals from calculations using the vdW-DF2 functional
Journal title:: Computational and Theoretical Chemistry
Year:: 2015
Journal volume:: 1069
Pages contribution:: 147-154
Fulltext / DOI:: doi:10.1016/j.comptc.2015.07.013
Publisher:: Elsevier BV
Date of publication:: 01.10.2015
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