Weijie Hua

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 17

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The journal of physical chemistry. A

Journal of chemical theory and computation

Nanjing University of Science and Technology

KTH Royal Institute of Technology (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Nanjing University of Science and Technology

China

Professor :: Department of Applied Physics

KTH Royal Institute of Technology

Sweden

Postdoc :: Department of Theoretical Chemistry, School of Biotechnology

University of California Irvine Apr 01 2013 - Apr 07 2015

United States

PostDoc :: Department of Chemsitry

KTH Royal Institute of Technology May 01 2011

Sweden

Postdoc :: Department of Theoretical Chemistry, School of Biotechnology

Education History

KTH Royal Institute of Technology Dec 01 2007 - Apr 28 2011

Sweden

PHD :: Department of Theoretical Chemistry, School of Biotechnology

Nanjing University Sep 01 2004 - Dec 28 2010

China

PHD :: Institute of Theoretical and Computational Chemistry

Nanjing University Sep 01 2000 - Jun 20 2004

China

BSC :: Department of Chemistry

Publications

Minrui Wei, Junxiang Zuo, Guang-Jun Tian, Weijie Hua
Simulating temperature and tautomeric effects for vibrationally resolved XPS of biomolecules: Combining time-dependent and time-independent approaches to fingerprint carbonyl groups. The Journal of chemical physics 161 (10) (2024)
Guoyan Ge, Jun-Rong Zhang, Sheng-Yu Wang, Minrui Wei, Yongfei Ji, Sai Duan, Kiyoshi Ueda, Weijie Hua
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra. The journal of physical chemistry letters (2024)
Jun-Rong Zhang, Sheng-Yu Wang, Weijie Hua
Core Hole Effect to Valence Excitations: Tracking and Visualizing the Same Excitation in XPS Shake-Up Satellites and UV Absorption Spectra. Journal of chemical theory and computation 20 (14) (2024)
Hai-Bo Li, Jun-Rong Zhang, Xiu-Neng Song, Chuan-Kui Wang, Weijie Hua, Yong Ma
Structural identification of single boron-doped graphdiynes by computational XPS and NEXAFS spectroscopy. Physical chemistry chemical physics : PCCP (2024)
Hai-Bo Li, Jun-Rong Zhang, Xiu-Neng Song, Chuan-Kui Wang, Weijie Hua, Yong Ma
Structural identification of single boron-doped graphdiynes by computational XPS and NEXAFS spectroscopy. Physical chemistry chemical physics : PCCP 26 (24) (2024)
Guoyan Ge, Jun-Rong Zhang, Sheng-Yu Wang, Minrui Wei, Yongfei Ji, Sai Duan, Kiyoshi Ueda, Weijie Hua
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra. The journal of physical chemistry letters (2024)
Jun-Rong Zhang, Sheng-Yu Wang, Weijie Hua
Core Hole Effect to Valence Excitations: Tracking and Visualizing the Same Excitation in XPS Shake-Up Satellites and UV Absorption Spectra. Journal of chemical theory and computation (2024)
Guoyan Ge, Jun-Rong Zhang, Sheng-Yu Wang, Minrui Wei, Yongfei Ji, Sai Duan, Kiyoshi Ueda, Weijie Hua
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra. The journal of physical chemistry letters 15 (23) (2024)
Jing Ming, Jun-Rong Zhang, Xiu-Neng Song, Xin Li, Weijie Hua, Yong Ma
First-principles simulation of X-ray spectra of graphdiyne and graphdiyne oxides at the carbon K-edge. Physical chemistry chemical physics : PCCP (2023)
Sheng-Yu Wang, Jun-Rong Zhang, Meiyuan Guo, Weijie Hua
Interpreting the Cu-O 2 Antibonding Nature in Two Cu-O 2 Complexes from Cu L-Edge X-ray Absorption Spectra. Inorganic chemistry (2023)
Xiao Cheng, Minrui Wei, Guang-Jun Tian, Yi Luo, Weijie Hua
Vibrationally-Resolved X-ray Photoelectron Spectra of Six Polycyclic Aromatic Hydrocarbons from First-Principles Simulations. The journal of physical chemistry. A 126 (33) (2022)
Xinzhe Du, Sheng-Yu Wang, Minrui Wei, Jun-Rong Zhang, Guoyan Ge, Weijie Hua
A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Hongbao Li, Weijie Hua, Zhiqiang Wang, Axue Liu, Jun Jiang, Yi Luo
Theoretical Spectroscopic Studies on Chemical and Electronic Structures of Selenocysteine and Pyrrolysine. The journal of physical chemistry. A 124 (11) (2020)
Guanglu Yuan, Shicheng Jiang, Ziwen Wang, Weijie Hua, Chao Yu, Cheng Jin, Rui-Feng Lu
The role of transition dipole phase in atomic attosecond transient absorption from the multi-level model. Structural dynamics (Melville, N.Y.) 6 (5) (2019)
Weijie Hua, Shaul Mukamel, Yi Luo
Transient X-ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil. The journal of physical chemistry letters 10 (22) (2019)
Lingjie Sun, Weijie Hua, Yang Liu, Guang-Jun Tian, Mingxi Chen, Mingxing Chen, Fangxu Yang, Shufeng Wang, Xiaotao Zhang, Yi Luo, Wenping Hu
Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet-Triplet Energy Gap via Charge Transfer. Angewandte Chemie (International ed. in English) 58 (33) (2019)
Weijie Hua, Kochise Bennett, Yu Zhang, Yi Luo, Shaul Mukamel
Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation. Chemical science 7 (9) (2016)

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Publication Activity (10 Years)

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Weijie Hua