Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

R. R. Valiev, K. B. Kopbalina, V. N. Cherepanov, N. Kh Ibraev, N. A. Mazhenov

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.

Original languageEnglish
Pages (from-to)95-99
Number of pages5
JournalRussian Physics Journal
Volume57
Issue number1
DOIs
Publication statusPublished - 1 Jan 2014

Fingerprint

anthracene
electronic spectra
dimers
absorption spectra
geometry
electronics

Keywords

  • anthracene dimers
  • density functional theory
  • thin films

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers. / Valiev, R. R.; Kopbalina, K. B.; Cherepanov, V. N.; Ibraev, N. Kh; Mazhenov, N. A.

In: Russian Physics Journal, Vol. 57, No. 1, 01.01.2014, p. 95-99.

Research output: Contribution to journalArticle

Valiev, R. R. ; Kopbalina, K. B. ; Cherepanov, V. N. ; Ibraev, N. Kh ; Mazhenov, N. A. / Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers. In: Russian Physics Journal. 2014 ; Vol. 57, No. 1. pp. 95-99.
@article{eae4aa0e8c4647ca97fac5947b2ab801,
title = "Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers",
abstract = "Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.",
keywords = "anthracene dimers, density functional theory, thin films",
author = "Valiev, {R. R.} and Kopbalina, {K. B.} and Cherepanov, {V. N.} and Ibraev, {N. Kh} and Mazhenov, {N. A.}",
year = "2014",
month = "1",
day = "1",
doi = "10.1007/s11182-014-0212-z",
language = "English",
volume = "57",
pages = "95--99",
journal = "Russian Physics Journal",
issn = "1064-8887",
publisher = "Consultants Bureau",
number = "1",

}

TY - JOUR

T1 - Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

AU - Valiev, R. R.

AU - Kopbalina, K. B.

AU - Cherepanov, V. N.

AU - Ibraev, N. Kh

AU - Mazhenov, N. A.

PY - 2014/1/1

Y1 - 2014/1/1

N2 - Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.

AB - Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.

KW - anthracene dimers

KW - density functional theory

KW - thin films

UR - http://www.scopus.com/inward/record.url?scp=84901038065&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84901038065&partnerID=8YFLogxK

U2 - 10.1007/s11182-014-0212-z

DO - 10.1007/s11182-014-0212-z

M3 - Article

VL - 57

SP - 95

EP - 99

JO - Russian Physics Journal

JF - Russian Physics Journal

SN - 1064-8887

IS - 1

ER -