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The Journal of Chemical Physics|September 9, 2024
Simulating temperature and tautomeric effects for vibrationally resolved XPS of biomolecules: Combining time-dependent and time-independent approaches to fingerprint carbonyl groupsMinrui Wei, Junxiang Zuo, Guangjun Tian, et al.
The Journal of Chemical Physics|January 2, 2026
Multiscale simulation of Raman images of water hexamers in a plasmonic nanocavityQiyuan Dai, Ziwei Ma, Guangjun Tian, et al.
The Journal of Chemical Physics|May 22, 2017
Gauge invariant theory for super high resolution Raman imagesSai Duan, Guangjun Tian, Zhen Xie, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Significant Contributions of the Albrecht's A Term to Nonresonant Raman Scattering ProcessesZu-Yong Gong, Guangjun Tian, Sai Duan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 2, 2017
Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivativesCe Song, Li Li, Sai Duan, et al.
The Journal of Physical Chemistry. A|August 12, 2022
Vibrationally-Resolved X-ray Photoelectron Spectra of Six Polycyclic Aromatic Hydrocarbons from First-Principles SimulationsXiao Cheng, Minrui Wei, Guangjun Tian, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2024
Regulation of π-π interactions between single aromatic molecules by bias voltageXiaona Xu, Keqiang Jia, Qiang Qi, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 1, 2019
Numerical investigations on the electromagnetic enhancement effect to tip-enhanced Raman scattering and fluorescence processesYong Wei, Huan Pei, Dexian Sun, et al.
Physical Chemistry Chemical Physics : PCCP|February 8, 2023
Adsorption properties of a paracyclophane molecule on NaCl/Au surfaces: a first-principles studyJiyin Xiao, Wenjing Zhao, Li Li, et al.
The Journal of Chemical Physics|August 24, 2018
First-principles study on vibrationally resolved fluorescence of fused 5,15-(diphenyl)-10,20-(dibromo)porphyrin moleculeFeifei Qiu, Ce Song, Li Li, et al.
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