YANG, Qin
YANG, Qin
Classe di Scienze
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Risultati 1 - 5 di 5 (tempo di esecuzione: 0.009 secondi).
Accuracy and Reliability in the Simulation of Vibrational Spectra: A Comprehensive Benchmark of Energies and Intensities Issuing From Generalized Vibrational Perturbation Theory to Second Order (GVPT2)
2021-01-01 Yang, Qin; Mendolicchio, Marco; Barone, Vincenzo; Bloino, Julien
Accurate Spectral Predictions of Medium-to-large Molecular Systems: Balancing Performance and Reliability
2021-09-22 Yang, Qin
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene
2021-01-01 Yang, Q.; Fuse, M.; Bloino, J.; Barone, V.
Modulation of π character upon complexation captured by molecular rotation spectra
2022-01-01 Zheng, Yang; Yang, Qin; Herbers, Sven; Cheng, Wanying; Jiang, Zhongming; Wang, Hao; Xu, Xuefang; Bloino, JULIEN ROLAND MICHEL; Gou, Qian
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye
2020-01-01 Yang, Q.; Fuse', M.; Bloino, J.