YANG, Qin

YANG, Qin  

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Titolo Data di pubblicazione Autori Tipo File
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 Yang, QinMendolicchio, MarcoBarone, VincenzoBloino, Julien 1.1 Articolo in rivista
Accurate Spectral Predictions of Medium-to-large Molecular Systems: Balancing Performance and Reliability 2021 YANG, Qin 9.1 Tesi di dottorato
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 2022 Yang, QinBloino, Julien 1.1 Articolo in rivista
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits 2022 Yang, QinBour, PetrBloino, Julien Roland Michel + 1.1 Articolo in rivista
Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex 2023 Yang, QinBloino, JulienBour, Petr + 1.1 Articolo in rivista
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 2021 Yang Q.Fuse M.Bloino J.Barone V. 1.1 Articolo in rivista
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations 2023 Yang, QinBloino, Julien Roland Michel + 1.1 Articolo in rivista
Modulation of π character upon complexation captured by molecular rotation spectra 2022 Qin YangZhongming JiangJulien Bloino + 1.1 Articolo in rivista
Scaling-up VPT2: a feasible route to include anharmonic correction on large molecules 2024 Mazzeo, GiuseppeAbbate, SergioYang. QinBloino, Julien Roland Michel + 1.1 Articolo in rivista
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye 2020 Yang Q.Fuse' M.Bloino J. 1.1 Articolo in rivista