Ab initioRelativistic CI Calculations of
โ
Yang Khandogin; Aleksey B. Alekseyev; Heinz-Peter Liebermann; Gerhard Hirsch; Ro
๐
Article
๐
1997
๐
Elsevier Science
๐
English
โ 297 KB
Spin-orbit MRD-CI calculations have been carried out for the potential energy surfaces of the seven lowest-lying electronic states of the BiOH molecule by employing relativistic effective core potentials. The HBiO isomer is found to be 4020 cm 01 less stable because of its inability to form multiple