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journal:(Journal AND of AND Chemical AND Physics) AND title:(The AND Lowest AND Triplet AND State AND of AND 1,3,5-hexatriene\: AND Quantum AND Chemical AND Force AND Field AND Calculations AND and AND Experimental AND Resonance AND Raman AND Spectra)

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1 Journal article

The Lowest Triplet State of 1,3,5-hexatriene: Quantum Chemical Force Field Calculations and Experimental Resonance Raman Spectra

Negri, F.; Orlandi, G.; Brouwer, A.M.; Langkilde, F.W.; Wilbrandt, R.

Journal of Chemical Physics — 1989, Volume 90, pp. 5944-5963

Year: 1989

Language: English

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2 Journal article

The lowest triplet state of 1,3,5‐hexatrienes: Quantum chemical force field calculations and experimental resonance Raman spectra

Negri, Fabrizia; Orlandi, Giorgio; Brouwer, Albert M.; Langkilde, Frans W.; Wilbrandt, Robert

Journal of Chemical Physics — 1989, Volume 90, Issue 11, pp. 5944-5963

Theoretical and Raman spectroscopic studies are presented of E and Z‐1,3,5‐hexatriene and their 3,4‐ and 2,5‐dideuteriated analogs in ground and excited triplet states. The T1 potential energy surface is calculated from extended SCF‐LCAO‐MO‐CI theory. Energy minima and equilibrium geometries

Year: 1989

Language: Undetermined

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ofj cegnmdhlb iakp

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