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CALCULATED SPECTROSCOPIC PROPERTIES OF SOME SMALL POLYATOMIC ANIONS

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/16915

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Title: CALCULATED SPECTROSCOPIC PROPERTIES OF SOME SMALL POLYATOMIC ANIONS
Creators: Botschwina, P.
Issue Date: 1986
Abstract: Near-equilibrium potential surfaces have been calculated for the electronic ground states of the anions $NH_{2}^{-}, PH_{2}^{-}, AsH_{2}^{-}, HCC^{-}, HO_{2}^{-}, N_{3}^{-}$, and $HCO_{2}^{-}$ from highly correlated CEPA wavefunctions. Anharmonic vibrational frequencies and IR intensities have been computed and other spectroscopic properties such as rototional constants, centrifugal distortion constants and rotation-vibration coupling constants are reported.
URI: http://hdl.handle.net/1811/16915
Other Identifiers: 1986-ME-12
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