Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

M Zbiri, MR Johnson, GJ Kearley, FM Mulder

Research output: Contribution to journalArticleScientificpeer-review

7 Citations (Scopus)
Original languageUndefined/Unknown
Pages (from-to)445-451
Number of pages7
JournalTheoretical Chemistry Accounts: theory, computation and modeling
Volume125
Publication statusPublished - 2010

Keywords

  • CWTS JFIS < 0.75

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