title: Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height.
abstract: A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.
authors.affiliation: Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309, USA.
authors.forename: Joshua H
authors.initials: JH
authors.lastname: Baraban
authors.affiliation: Institute for Computational Engineering and Sciences (ICES), University of Texas at Austin, Austin, Texas 78712, USA.
authors.forename: Devin A
authors.initials: DA
authors.lastname: Matthews
authors.affiliation: Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712, USA.
authors.forename: John F
authors.initials: JF
authors.lastname: Stanton