Density functional studies of torsion potentials of neutral and protonated bipyridines

Olli Lehtonen, Olli Ikkala, Lars-Olof Pietilä

Research output: Contribution to journalArticleScientificpeer-review

9 Citations (Scopus)
Original languageEnglish
Pages (from-to)91-100
Number of pages10
JournalJOURNAL OF MOLECULAR STRUCTURE: THEOCHEM
Volume663
Issue number1-3
DOIs
Publication statusPublished - 2003
MoE publication typeA1 Journal article-refereed

Keywords

  • Ab initio, Density functional theory, Torsion potential, Electrostatic potential charges

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