Browsing by Subject "Wavefunctions"
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Article
Effect of halogen substitution on o-Phenylenebiscarbene
(2005)The effect of halogen (F, Cl and Br) perturbation on the geometries and relative energies of five electronic states (one quintet, two triplets and two singlets) of o-phenylenebiscarbene (1-H) is examined computationally ...