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Fig. 9

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The absorption spectrum (oscillator strength vs. wavelength (nm)) of the H2CCH2:H2CNH+ complex computed using time dependent density functional theory (TDDFT), at the B3LYP/cc-pVTZ level. The inset shows the highest doubly occupied molecular orbital (HDOMO) and the singly occupied molecular orbital (SOMO) of the complex that has a large oscillator strength.

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