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shaohui zheng
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Year
Relativistic computations of NMR parameters from first principles: theory and applications
J Autschbach, S Zheng
Annual Reports on NMR Spectroscopy 67, 1-95, 2009
1422009
Analysis of electric field gradient tensors at quadrupolar nuclei in common structural motifs
J Autschbach, S Zheng, RW Schurko
Concepts in Magnetic Resonance Part A 36 (2), 84-126, 2010
1332010
Analyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: The role of Pt 5d lone pairs
J Autschbach, S Zheng
Magnetic Resonance in Chemistry 46 (S1), S45-S55, 2008
1082008
Solid-state chlorine NMR of group IV transition metal organometallic complexes
AJ Rossini, RW Mills, GA Briscoe, EL Norton, SJ Geier, I Hung, S Zheng, ...
Journal of the American Chemical Society 131 (9), 3317-3330, 2009
912009
Resistive switching memory integrated with amorphous carbon-based nanogenerators for self-powered device
G Zhou, Z Ren, L Wang, J Wu, B Sun, A Zhou, G Zhang, S Zheng, S Duan, ...
Nano Energy 63, 103793, 2019
882019
Capacitive effect: an original of the resistive switching memory
G Zhou, Z Ren, B Sun, J Wu, Z Zou, S Zheng, L Wang, S Duan, Q Song
Nano Energy 68, 104386, 2020
792020
Ab Initio Study of the Emissive Charge-Transfer States of Solvated Chromophore-Functionalized Silsesquioxanes
S Zheng, H Phillips, E Geva, BD Dunietz
Journal of the American Chemical Society 134 (16), 6944-6947, 2012
762012
Graphitic carbon nitride with S and O codoping for enhanced visible light photocatalytic performance
R You, H Dou, L Chen, S Zheng, Y Zhang
RSC advances 7 (26), 15842-15850, 2017
752017
Solvated charge transfer states of functionalized anthracene and tetracyanoethylene dimers: a computational study based on a range separated hybrid functional and charge …
S Zheng, E Geva, BD Dunietz
Journal of Chemical Theory and Computation 9 (2), 1125-1131, 2013
732013
Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionals
H Phillips, S Zheng, A Hyla, R Laine, T Goodson III, E Geva, BD Dunietz
The Journal of Physical Chemistry A 116 (4), 1137-1145, 2012
562012
Enhanced sampling of chemical and biochemical reactions with metadynamics
S Zheng, J Pfaendtner
Molecular Simulation 41 (1-3), 55-72, 2015
432015
Modeling of Heavy‐Atom–Ligand NMR Spin–Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of Hg C Coupling Constants
S Zheng, J Autschbach
Chemistry–A European Journal 17 (1), 161-173, 2011
382011
Negative Photoconductance Effect: An Extension Function of the TiOx‐Based Memristor
G Zhou, B Sun, X Hu, L Sun, Z Zou, B Xiao, W Qiu, B Wu, J Li, J Han, ...
Advanced Science 8 (13), 2003765, 2021
372021
Tuning magnetism by strain and external electric field in zigzag Janus MoSSe nanoribbons
M Wang, Y Pang, DY Liu, SH Zheng, QL Song
Computational Materials Science 146, 240-247, 2018
362018
Band structure engineering of graphitic carbon nitride via Cu2+/Cu+ doping for enhanced visible light photoactivity
H Dou, L Chen, S Zheng, Y Zhang, GQ Xu
Materials Chemistry and Physics 214, 482-488, 2018
342018
Evolution map of the memristor: from pure capacitive state to resistive switching state
G Zhou, J Wu, L Wang, B Sun, Z Ren, C Xu, Y Yao, L Liao, G Wang, ...
Nanoscale 11 (37), 17222-17229, 2019
322019
Car–Parrinello molecular dynamics+ metadynamics study of high-temperature methanol oxidation reactions using generic collective variables
S Zheng, J Pfaendtner
The Journal of Physical Chemistry C 118 (20), 10764-10770, 2014
312014
A facile approach to synthesize graphitic carbon nitride microwires for enhanced photocatalytic H 2 evolution from water splitting under full solar spectrum
H Dou, D Long, S Zheng, Y Zhang
Catalysis Science & Technology 8 (14), 3599-3609, 2018
272018
Barium- and Phosphorus-Codoped g-C3N4 Microtubes with Efficient Photocatalytic H2 Evolution under Visible Light Irradiation
D Long, W Chen, S Zheng, X Rao, Y Zhang
Industrial & Engineering Chemistry Research 59 (10), 4549-4556, 2020
252020
A solid-state NMR, X-ray diffraction, and ab initio investigation into the structures of novel tantalum oxyfluoride clusters
TM Alam, JS Clawson, F Bonhomme, SG Thoma, MA Rodriguez, S Zheng, ...
Chemistry of Materials 20 (6), 2205-2217, 2008
252008
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