title: Ab Initio Study of the Electronic Spectrum of B2H2
abstract: The results of ab initio calculations of the potential curves for the torsional motion, symmetric H-B stretching, and B-B stretching in low-lying valence- and Rydberg-character triplet and singlet electronic states of B2H2 are reported. Particularly, the dissociation process B2H2 --> BH + BH out of various electronic states of B2H2 is studied. The nature of binding in B2H2 is discussed in terms of the composition of the electronic wavefunctions. Copyright 1997Academic Press
authors.affiliation: Institut fur Physikalische und Theoretische Chemie, Universitat Bonn, Wegelerstrasse 12, Bonn, D-53115, Germany
authors.initials: M
authors.lastname: Peric
authors.initials: B
authors.lastname: Ostojic
authors.initials: B
authors.lastname: Engels