Weijie Hua
Zitiert von
Zitiert von
A Large Protonated Water Cluster H+(H2O)27 in a 3D Metal−Organic Framework
M Wei, C He, W Hua, C Duan, S Li, Q Meng
Journal of the American Chemical Society 128 (41), 13318-13319, 2006
Geometry optimizations and vibrational spectra of large molecules from a generalized energy-based fragmentation approach
W Hua, T Fang, W Li, JG Yu, S Li
The Journal of Physical Chemistry A 112 (43), 10864-10872, 2008
X-ray absorption spectra of graphene from first-principles simulations
W Hua, B Gao, S Li, H Ågren, Y Luo
Physical Review B 82 (15), 155433, 2010
An efficient implementation of the generalized energy-based fragmentation approach for general large molecules
S Hua, W Hua, S Li
The Journal of Physical Chemistry A 114 (31), 8126-8134, 2010
Accurate K-edge X-ray photoelectron and absorption spectra of gC 3 N 4 nanosheets by first-principles simulations and reinterpretations
JR Zhang, Y Ma, SY Wang, J Ding, B Gao, E Kan, W Hua
Physical Chemistry Chemical Physics 21 (41), 22819-22830, 2019
Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet–Triplet Energy Gap via Charge Transfer
L Sun, W Hua, Y Liu, G Tian, M Chen, M Chen, F Yang, S Wang, X Zhang, ...
Angewandte Chemie International Edition 58 (33), 11311-11316, 2019
Estimation on the individual hydrogen-bond strength in molecules with multiple hydrogen bonds
H Dong, W Hua, S Li
The Journal of Physical Chemistry A 111 (15), 2941-2945, 2007
Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene
G Fronzoni, O Baseggio, M Stener, W Hua, G Tian, Y Luo, B Apicella, ...
The Journal of Chemical Physics 141 (4), 2014
Low-lying structures and stabilities of large water clusters: Investigation based on the combination of the amoeba potential and generalized energy-based fragmentation approach
Z Yang, S Hua, W Hua, S Li
The Journal of Physical Chemistry A 114 (34), 9253-9261, 2010
Tetranuclear manganese (III) clusters containing both carboxylate and phosphonate bridging ligands
YS Ma, HC Yao, WJ Hua, SH Li, YZ Li, LM Zheng
Inorganica chimica acta 360 (5), 1645-1650, 2007
Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy
W Hua, S Oesterling, JD Biggs, Y Zhang, H Ando, R de Vivie-Riedle, ...
Structural Dynamics 3 (2), 2016
Strain effect on the orientation-dependent harmonic spectrum of monolayer aluminum nitride
ZW Wang, SC Jiang, GL Yuan, T Wu, C Li, C Qian, C Jin, C Yu, WJ Hua, ...
Science China Physics, Mechanics & Astronomy 63 (5), 257311, 2020
Nonlinear spectroscopy of core and valence excitations using short x-ray pulses: Simulation challenges
Y Zhang, W Hua, K Bennett, S Mukamel
Density-Functional Methods for Excited States, 273-345, 2016
Refinement of DNA structures through near-edge x-ray absorption fine structure analysis: Applications on guanine and cytosine nucleobases, nucleosides, and nucleotides
W Hua, B Gao, S Li, H Ågren, Y Luo
The Journal of Physical Chemistry B 114 (41), 13214-13222, 2010
Multidimensional resonant nonlinear spectroscopy with coherent broadband x-ray pulses
K Bennett, Y Zhang, M Kowalewski, W Hua, S Mukamel
Physica Scripta 2016 (T169), 014002, 2016
Electronic structure of nitrogen-doped graphene in the ground and core-excited states from first-principles simulations
X Li, W Hua, J Guo, Y Luo
The Journal of Physical Chemistry C 119 (29), 16660-16666, 2015
Transient X-ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil
W Hua, S Mukamel, Y Luo
The journal of physical chemistry letters 10 (22), 7172-7178, 2019
Systematic Study of Soft X-ray Spectra of Poly (Dg)· Poly (Dc) and Poly (Da)· Poly (Dt) DNA Duplexes
W Hua, H Yamane, B Gao, J Jiang, S Li, HS Kato, M Kawai, T Hatsui, ...
The Journal of Physical Chemistry B 114 (20), 7016-7021, 2010
DynaVib Version 1.0
G Tian, S Duan, W Hua, Y Luo
Royal Institute of Technology, Sweden, 2012
Spectroscopic constants of single-bond diatomic molecules and singlet− triplet gaps of diradicals by the block-correlated coupled cluster theory
J Shen, T Fang, W Hua, S Li
The Journal of Physical Chemistry A 112 (20), 4703-4709, 2008
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