Weijie Hua

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Luo Yi - KTHProfessor of Theoretical Chemistry, Royal Institute of Technology, University of Science andVerified email at kth.se
Shaul MukamelDistinguished Professor of Chemistry and of Physics and Astronomy, University of California, IrvineVerified email at uci.edu
Tian GuangjunSchool of Science, Yanshan UniversityVerified email at ysu.edu.cn
Yu ZhangAmes National LaboratoryVerified email at ameslab.gov
Bin GaoSenior researcher, Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT TheVerified email at uit.no
hans agrenDepartment of Physics and Astronomy, Uppsala UniversityVerified email at physics.uu.se
Jason D. BiggsMax Planck Institute for the Structure and Dynamics of MatterVerified email at mpsd.mpg.de
Kochise BennettDeep Learning Algorithm Developer, Santa BarbaraVerified email at uci.edu
Mauro StenerProfessore di chimica fisica, Università di TriesteVerified email at units.it
Cheng JinDepartment of Applied Physics, Nanjing University of Science and TechnologyVerified email at njust.edu.cn
Chao YuNanjing University of Science and TechnologyVerified email at njust.edu.cn
Antti KivimakiCNR-IOM, TASC Laboratory, TriesteVerified email at iom.cnr.it
Baseggio OscarSISSAVerified email at sissa.it
ruifeng luNanjing University of Science and TechnologyVerified email at njust.edu.cn
Jinghua GuoSenior Scientist, Lawrence Berkeley National LaboratoryVerified email at lbl.gov
Junfei DingGuizhou UniversityVerified email at gzu.edu.cn
Erjun KanNanjing University of Science and TechnologyVerified email at njust.edu.cn
Wenping HuProfessor of Chemistry, Institute of Chemistry, CASVerified email at iccas.ac.cn
Jun JiangUniversity of Science and Technology of ChinaVerified email at ustc.edu.cn
Hao DongNanjing UniversityVerified email at nju.edu.cn

Weijie Hua

Nanjing University of Science and Technology

Verified email at njust.edu.cn - Homepage

X-ray Spectroscopy Ultrafast Dynamics Theoretical Chemistry Nonlinear Optics Photochemistry


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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	241	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	139	2008
X-ray absorption spectra of graphene from first-principles simulations W Hua, B Gao, S Li, H Ågren, Y Luo Physical Review B—Condensed Matter and Materials Physics 82 (15), 155433, 2010	111	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	107	2010
Accurate K-edge X-ray photoelectron and absorption spectra of g-C3N4 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	95	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	92	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	75	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	59	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	47	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	45	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	44	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	43	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	40	2016
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	38	2019
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	37	2015
DynaVib Version 1.0 G Tian, S Duan, W Hua, Y Luo Royal Institute of Technology, Sweden, 2012	37	2012
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	36	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	35	2010
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	35	2010
Local structures of nitrogen-doped graphdiynes determined by computational X-ray spectroscopy Y Ma, J Lin, XN Song, CK Wang, W Hua, Y Luo Carbon 149, 672-678, 2019	31	2019

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