Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional

David Egger; Shira Weismann; Sivan Refaely-Abramson; Sahar Sharifzadeh; Matthias Dauth; Roi Baer; Stephan Kümmel; Jeffrey B. Neaton; Egbert Zojer; Leeor Kronik

doi:10.1021/ct400956h

Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional

David Egger, Shira Weismann, Sivan Refaely-Abramson, Sahar Sharifzadeh, Matthias Dauth, Roi Baer, Stephan Kümmel, Jeffrey B. Neaton, Egbert Zojer, Leeor Kronik

Institute of Solid State Physics (5130)

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	1934-ff
Journal	Journal of Chemical Theory and Computation
Volume	10
DOIs	https://doi.org/10.1021/ct400956h
Publication status	Published - 2014

Fields of Expertise

Advanced Materials Science

Treatment code (Nähere Zuordnung)

Basic - Fundamental (Grundlagenforschung)
Theoretical

Access to Document

10.1021/ct400956h

Cite this

@article{e15f48934f114479b87e1adebd856eab,

title = "Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional",

author = "David Egger and Shira Weismann and Sivan Refaely-Abramson and Sahar Sharifzadeh and Matthias Dauth and Roi Baer and Stephan K{\"u}mmel and Neaton, {Jeffrey B.} and Egbert Zojer and Leeor Kronik",

year = "2014",

doi = "10.1021/ct400956h",

language = "English",

volume = "10",

pages = "1934--ff",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional

AU - Egger, David

AU - Weismann, Shira

AU - Refaely-Abramson, Sivan

AU - Sharifzadeh, Sahar

AU - Dauth, Matthias

AU - Baer, Roi

AU - Kümmel, Stephan

AU - Neaton, Jeffrey B.

AU - Zojer, Egbert

AU - Kronik, Leeor

PY - 2014

Y1 - 2014

U2 - 10.1021/ct400956h

DO - 10.1021/ct400956h

M3 - Article

VL - 10

SP - 1934-ff

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

SN - 1549-9618

ER -