Weijie Hua
Nanjing University of Science and Technology
H-index: 24
Asia-China
Top articles of Weijie Hua
On the Core Hole Effect to Valence Excitations: Tracking and Visualizing the Same Excitation in XPS Shake-Up and UV-Absorption Spectra
2024/4/5
Sheng-Yu Wang
H-Index: 3
Weijie Hua
H-Index: 13
Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations
Applied Physics Letters
2024/4/1
Temperature and Tautomeric Effects in High-Resolution Oxygen 1s X-ray Photoelectron Spectroscopy of Purines and Pyrimidines
arXiv preprint arXiv:2403.09109
2024/3/14
Weijie Hua
H-Index: 13
MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level
Computer Physics Communications
2024/3/1
Weijie Hua
H-Index: 13
Vibronic fine structure in the nitrogen photoelectron spectra from Franck-Condon simulations. III. Rules for amine and imine N atoms in small -heterocycles
Physical Review A
2024/2/28
Weijie Hua
H-Index: 13
Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra
2024/2/1
Sheng-Yu Wang
H-Index: 3
Weijie Hua
H-Index: 13
Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B1s Binding Energies in Fluorinated -BN Nanosheets
arXiv preprint arXiv:2310.16229
2023/10/24
Interpreting the Cu–O2 Antibonding Nature in Two Cu–O2 Complexes from Cu L-Edge X-ray Absorption Spectra
Inorganic Chemistry
2023/10/13
Structural characterization of nitrogen-doped γ-graphynes by computational X-ray spectroscopy
Carbon
2023/10/1
Weijie Hua
H-Index: 13
Yong Ma
H-Index: 5
Franck-Condon Simulation of Vibrationally-Resolved X-ray Spectra for Diatomic Systems: Validation of Harmonic Approximation and Density Functional Theory
The Journal of chemical physics
2012/4/14
Interpreting the antibonding nature between Cu and O in two copper enzyme models from computational X-ray absorption spectra at the Cu L-edge
2023/5/30
Identification of oxidation states in γ-graphyne by computational XPS and NEXAFS spectra
Applied Surface Science
2023/1/30
First-principles simulation of X-ray spectra of graphdiyne and graphdiyne oxides at the carbon K-edge
Physical Chemistry Chemical Physics
2023
Experimental and theoretical near-edge x-ray-absorption fine-structure studies of
Physical Review A
2022/10/21
Ludvig Kjellsson
H-Index: 4
Emiliano De Santis
H-Index: 4
Weijie Hua
H-Index: 13
Jan-Erik Rubensson
H-Index: 22
A QM/MM study on the X-ray spectra of organic proton transfer crystals of isonicotinamides
The Journal of Physical Chemistry C
2022/9/8
Sheng-Yu Wang
H-Index: 3
Weijie Hua
H-Index: 13
On the choice of shape and size for truncated cluster-based x-ray spectral simulations of 2D materials
The Journal of Chemical Physics
2022/9/7
Vibrationally-resolved X-ray photoelectron spectra of six polycyclic aromatic hydrocarbons from first-principles simulations
The Journal of Physical Chemistry A
2022/8/12
Manipulating spatial alignment of donor and acceptor in host–guest MOF for TADF
National Science Review
2022/8
Weijie Hua
H-Index: 13
A theoretical library of N1s core binding energies of polynitrogen molecules and ions in the gas phase
Physical Chemistry Chemical Physics
2022
Sheng-Yu Wang
H-Index: 3
Weijie Hua
H-Index: 13
Breaking inversion symmetry by protonation: experimental and theoretical NEXAFS study of the diazynium ion, N 2 H+
Physical Chemistry Chemical Physics
2021
Weijie Hua
H-Index: 13
Ludvig Kjellsson
H-Index: 4
Johan Söderström
H-Index: 12
Jan-Erik Rubensson
H-Index: 22
Co-Authors
