Weijie Hua
Cited by
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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
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
X-ray absorption spectra of graphene from first-principles simulations
W Hua, B Gao, S Li, H ┼gren, Y Luo
Physical Review B 82 (15), 155433, 2010
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
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
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), 044313, 2014
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
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
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 ┼gren, Y Luo
The Journal of Physical Chemistry B 114 (41), 13214-13222, 2010
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
Systematic Study of Soft X-ray Spectra of Poly (Dg)Ě Poly (Dc) and Poly (Da)Ě 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
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), 023601, 2016
Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors
X Song, W Hua, Y Ma, C Wang, Y Luo
The Journal of Physical Chemistry C 116 (45), 23938-23944, 2012
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
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, 2014
First-Principles Study on Core-Level Spectroscopy of Arginine in Gas and Solid Phases
H Li, W Hua, Z Lin, Y Luo
The Journal of Physical Chemistry B 116 (42), 12641-12650, 2012
Diruthenium (iii, iii) diphosphonate with a spin ground state S= 2
B Liu, T Ding, WJ Hua, XM Liu, HM Hu, SH Li, LM Zheng
Dalton Transactions 42 (10), 3429-3433, 2013
DynaVib, version 1.0
G Tian, S Duan, W Hua, Y Luo
Royal Institute of Technology: Sweden, 2012
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