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List of works by Shaohui Zheng

A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters

scholarly article by Todd M. Alam et al published March 2008 in Chemistry of Materials

Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionals

scientific article published on 23 January 2012

Ab initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes.

scientific article published on 16 April 2012

Analysis of electric field gradient tensors at quadrupolar nuclei in common structural motifs

Analyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: the role of Pt 5d lone pairs

scientific article

Density functional computations of99Ru chemical shifts: relativistic effects, influence of the density functional, and study of solvent effects onfac—[Ru(CO)3I3]−

scientific article published on 01 November 2006

Evolution map of the memristor: from pure capacitive state to resistive switching state

scientific article published on 18 September 2019

Experimental and theoretical investigations of selenium nuclear magnetic shielding tensors in Se–N heterocycles

article

Modeling of Heavy‐Atom–Ligand NMR Spin–Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of HgC Coupling Constants ⬇️

scientific article published on November 12, 2010

Prediction of the lowest charge-transfer excited-state energy at the donor-acceptor interface in a condensed phase using ground-state DFT calculations with generalized Kohn-Sham functionals.

scientific article

Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes

scientific article published on 01 March 2009

Solid-state NMR spectroscopic study of coordination compounds of XeF(2) with metal cations and the crystal structure of [Ba(XeF(2))(5)][AsF(6)](2)

article published in 2007

Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum M

scientific article published on 22 January 2013

Synthesis and characterization of the trihalophosphine compounds of ruthenium [RuX2(eta(6)-cymene)(PY3)] (X = Cl, Br, Y = F, Cl, Br) and the related PF2(NMe2) and P(NMe2)3 compounds; multinuclear NMR spectroscopy and the X-ray single crystal structu

scientific article published on 23 September 2008

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