Relativistic computations of NMR parameters from first principles: theory and applications J Autschbach, S Zheng Annual Reports on NMR Spectroscopy 67, 1-95, 2009 | 142 | 2009 |
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 | 133 | 2010 |
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 | 108 | 2008 |
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 | 91 | 2009 |
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 | 88 | 2019 |
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 | 79 | 2020 |
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 | 76 | 2012 |
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 | 75 | 2017 |
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 | 73 | 2013 |
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 | 56 | 2012 |
Enhanced sampling of chemical and biochemical reactions with metadynamics S Zheng, J Pfaendtner Molecular Simulation 41 (1-3), 55-72, 2015 | 43 | 2015 |
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 | 38 | 2011 |
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 | 37 | 2021 |
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 | 36 | 2018 |
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 | 34 | 2018 |
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 | 32 | 2019 |
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 | 31 | 2014 |
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 | 27 | 2018 |
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 | 25 | 2020 |
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 | 25 | 2008 |