On the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra for thiophene and phenyl containting oligomers

Vladimir Lukes, Jan Rimarcik, Lenka Rottmanová, Kraiwan Punyain, Erik Klein, Anne-Marie Kelterer

Research output: Contribution to journalArticleResearchpeer-review

Original languageEnglish
Pages (from-to)55-65
JournalComputational & theoretical chemistry
Volume999
DOIs
Publication statusPublished - 2012

Fields of Expertise

  • Advanced Materials Science

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)
  • Theoretical

Cite this

On the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra for thiophene and phenyl containting oligomers. / Lukes, Vladimir; Rimarcik, Jan; Rottmanová, Lenka; Punyain, Kraiwan; Klein, Erik; Kelterer, Anne-Marie.

In: Computational & theoretical chemistry, Vol. 999, 2012, p. 55-65.

Research output: Contribution to journalArticleResearchpeer-review

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AU - Lukes, Vladimir

AU - Rimarcik, Jan

AU - Rottmanová, Lenka

AU - Punyain, Kraiwan

AU - Klein, Erik

AU - Kelterer, Anne-Marie

PY - 2012

Y1 - 2012

U2 - 10.1016/j.comptc.2012.08.014

DO - 10.1016/j.comptc.2012.08.014

M3 - Article

VL - 999

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JO - Computational & theoretical chemistry

JF - Computational & theoretical chemistry

SN - 2210-271X

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