A spin-flip study of the diradical isomers of pyrrole, furan, and thiophene.

Autor: Chen Z; Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, USA., Mendoza-Gomez S; Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, USA., Azar-Tanguay JE; Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, USA., Ancajas CMF; Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, USA., Sirianni DA; Department of Natural Sciences, Daemen University, Amherst, New York 14226, USA., Parish CA; Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia 23173, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2024 Oct 21; Vol. 161 (15).