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- W2062520175 abstract "Abstract By using CASSCF/MRCI methods, theoretical molecular calculations have been performed for 12 electronic states for AlBr molecule and 12 electronic states for AlI molecule in the representation 2s+1 Λ (neglecting spin‐orbit effects). Calculated potential energy curves are displayed. Spectroscopic constants including the harmonic vibrational wave number ω e , the electronic energy T e referred to the ground state and the equilibrium internuclear distance R e are predicted for these singlet and triplet electronic states for both AlBr and AlI molecules. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010" @default.
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- W2062520175 date "2009-07-17" @default.
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- W2062520175 title "Theoretical electronic studies of aluminum monobromide and aluminum monoiodide" @default.
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- W2062520175 doi "https://doi.org/10.1002/qua.22145" @default.
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