Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional
Egger, David A., Weissman, Shira, Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Dauth, Matthias, Baer, Roi, Kümmel, Stephan, Neaton, Jeffrey B., Zojer, Egbert, Kronik, LeeorVolume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400956h
Date:
May, 2014
File:
PDF, 4.44 MB
english, 2014