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Torsion-vibration coupling in S1 toluene: Implications for IVR, the torsional barrier height, and rotational constants.
Gascooke JR, Virgo EA, Lawrance WD. Gascooke JR, et al. J Chem Phys. 2015 Jul 28;143(4):044313. doi: 10.1063/1.4927139. J Chem Phys. 2015. PMID: 26233135
This situation is the S1 analogue of that recently reported for S0 toluene [Gascooke et al., J. Chem. Phys. 142, 024315 (2015)]. Torsion-vibration coupling alters both the rotor band positions and the rotational contours, which particularly affects the rotational co …
This situation is the S1 analogue of that recently reported for S0 toluene [Gascooke et al., J. Chem. Phys. 142, 024315 (2015) …
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