Computational study of small Heteraphanes

Research output: Contribution to journalArticlepeer-review


The energy and structures of electronic structures of [2.2](2,5)- and [](2,3,4,5)heteraphanes have been investigated by DFT method using double hybrid functional with dispersion correction.
Original languageEnglish
Pages (from-to)50-53
Number of pages4
JournalComputational and Theoretical Chemistry
Publication statusPublished - Apr 2015

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