@article{PericEngelsPeyerimhoff1991,
  author    = {Peric, M. and Engels, Bernd and Peyerimhoff, S.D.},
  title     = {Ab initio investigation of the vibronic structure of the C\(_2\)H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58915},
  year      = {1991},
  abstract  = {The vibronically averaged values for tbe hyperfine coupling constants in the X\(^2 \sum\)-A\(^2 \Pi\) system of the ethynyl radical are computed by means of tbe ab initio metbod calculations. The results point at tbe importance of taking into account the coupling of a1l tbree electronic states in question ( I\(^2\)A', 2\(^2\)A', and 1\(^2\)A") for a reliable explanation of the available experimental findings. The mean values of the hfcc's for K = 0 and 1 levels in \(^{13}\)C\(_2\)H and \(^{13}\)C\(_2\)D in the energy range up to 6000 cm\(^{-1}\) are predicted.},
  subject      = {Organische Chemie},
  language  = {en}
}
@article{PericEngelsPeyerimhoff1991,
  author    = {Peric, M. and Engels, Bernd and Peyerimhoff, S.D.},
  title     = {Ab initio investigation of the vibronic structure of the C\(_2\)H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58901},
  year      = {1991},
  abstract  = {The hyperfine coupling constants (isotropic hfcc and four Cartesian components of the ani~ tropic tensor) are calculated for all three atoms of C\(_2\)H in its three lowest-lying electronic states at various molecu)ar geometries by means of the ab initio configuration interaction ( MRO.CI) method. The off-diagonal electronic matrix elements involving the two species ofthe A' symmetry are also computed. A diabatic transforrnation is perforrned Jeading to simple geometrical depen· dences of the hyperline coupling constants.},
  subject      = {Organische Chemie},
  language  = {en}
}