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

Autor(en):: Ma, Xiufang; Genest, Alexander; Spanu, Leonardo; Rösch, Notker
Titel:: Structures and vibrational frequencies of CO adsorbed on transition metals from calculations using the vdW-DF2 functional
Zeitschriftentitel:: Computational and Theoretical Chemistry
Jahr:: 2015
Band / Volume:: 1069
Seitenangaben Beitrag:: 147-154
Volltext / DOI:: doi:10.1016/j.comptc.2015.07.013
Verlag / Institution:: Elsevier BV
Publikationsdatum:: 01.10.2015
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