Calculating Vibrational Excited State Absorptions with Excited State Constrained Minimized Energy Surfaces

Wang, YW; Chen, ZH; Yang, Y

Yang, Y (通讯作者),Univ Wisconsin Madison, Theoret Chem Inst, Dept Chem, Madison, WI 53706 USA.

JOURNAL OF PHYSICAL CHEMISTRY A, 2023; 127 (25): 5491

Abstract

The modeling and interpretation of vibrational spectraare crucialfor studying reaction dynamics using vibrational spectroscopy. Mostprior theoretical ......

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