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Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

Title data

Egger, David A. ; Weissman, Shira ; Refaely-Abramson, Sivan ; Sharifzadeh, Sahar ; Dauth, Matthias ; Baer, Roi ; Kümmel, Stephan ; Neaton, Jeffrey B. ; Zojer, Egbert ; Kronik, Leeor:
Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional.
In: Journal of Chemical Theory and Computation. Vol. 10 (13 May 2014) Issue 5 . - pp. 1934-1952.
ISSN 1549-9626
DOI: https://doi.org/10.1021/ct400956h

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV > Chair Theoretical Physics IV - Univ.-Prof. Dr. Stephan Kümmel
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 14 Jan 2021 13:17
Last Modified: 14 Jan 2021 13:17
URI: https://eref.uni-bayreuth.de/id/eprint/61640