Charles P. Blahous

Symmetry breaking in the NO2 σ radical: Construction of the 2<i>A</i>1 and 2<i>B</i>2 states with <i>C</i> <i>s</i> symmetry complete active space self-consistent-field wave functions

Charles P. Blahous, Brian F. Yates, Yaoming Xie et al. · The Journal of Chemical Physics · 1990 · 65 citations

Natural Sciences, Chemistry, Physics +16

NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface

Yaoming Xie, Randall D. Davy, Brian F. Yates et al. · Chemical Physics · 1989 · 38 citations

Natural Sciences, Chemistry, Physics +12

Geometrical structure and vibrational frequencies for the oxygen analogue of hexasulfur

Charles P. Blahous, Henry F. Schaefer · The Journal of Physical Chemistry · 1988 · 32 citations

Natural Sciences, Chemistry, Molecular Physics +10

The infrared spectrum of trimethylenemethane. Predictions of in-plane vibrational frequencies from correlated wave functions

Charles P. Blahous, Yaoming Xie, Henry F. Schaefer · The Journal of Chemical Physics · 1990 · 16 citations

Natural Sciences, Chemistry, Physics +17