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Photophysics of Auramine-O: Electronic Structure Calculations and Nonadiabatic Dynamics Simulations

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP05312A, Paper
Bin-Bin Xie, Shu-Hua Xia, Xue-Ping Chang, Ganglong Cui
Diphenylmethane dyes are very useful photoinduced molecular rotors; however, their photophysical mechanisms are still elusive until now. In this work, we adopted combined static electronic structure calculations (MS-CASPT2//CASSCF) and trajectory-based...
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