Computational simulation and interpretation of the low-lying excited electronic states and electronic spectrum of thioanisole

Phys. Chem. Chem. Phys., 2015, 17,20093-20099
DOI: 10.1039/C5CP02461G, Paper

Shaohong L. Li, Xuefei Xu, Donald G. Truhlar
Low-lying excited electronic states of thioanisole are calculated by various wave function and density functional methods. Electronic absorption spectrum is simulated and interpreted.
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