Computational study of small Heteraphanes

Research output: Contribution to journalArticlepeer-review

Abstract

The energy and structures of electronic structures of [2.2](2,5)- and [2.2.2.2](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
Volume1058
DOIs
Publication statusPublished - Apr 2015

Fingerprint Dive into the research topics of 'Computational study of small Heteraphanes'. Together they form a unique fingerprint.

Cite this