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- W2042131759 abstract "This paper describes a semi-emprical quantitative theory of the low-lying electronic states of the radicals CH, CH2, CH3, NH, NH2, BH, BH2 and BH3. The method combines certain features of the valence-bond theory and Moffitt's method of Atoms in Molecules, and bond bending is taken into account. The results are in excellent general agreement with experiment: the ground state of CH2 is a linear 3Σ g - state, whose potential energy curve crosses that of the lowest singlet state which is bent. The CH3 radical is predicted to resist out-of-plane deformation quite strongly, and the BH2 radical is predicted to be linear in its ground state." @default.
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- W2042131759 date "1962-03-01" @default.
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- W2042131759 title "The lower electronic levels of the radicals CH, CH<sub>2</sub>, CH<sub>3</sub>, NH, NH<sub>2</sub>, BH, BH<sub>2</sub>and BH<sub>3</sub>" @default.
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- W2042131759 doi "https://doi.org/10.1080/00268976200100131" @default.
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