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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 MAnalyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: the role of Pt 5d lone pairs.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 structuAb initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes.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.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)Experimental and theoretical investigations of selenium nuclear magnetic shielding tensors in Se–N heterocyclesModeling of Heavy-Atom-Ligand NMR Spin-Spin Coupling in Solution: Molecular Dynamics Study and Natural Bond Orbital Analysis of HgC Coupling ConstantsAnalysis of electric field gradient tensors at quadrupolar nuclei in common structural motifsSolid-State Chlorine NMR of Group IV Transition Metal Organometallic ComplexesA Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride ClustersDensity functional computations of99Ru chemical shifts: relativistic effects, influence of the density functional, and study of solvent effects onfac—[Ru(CO)3I3]−Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionalsEvolution map of the memristor: from pure capacitive state to resistive switching state
P50
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P50
description
onderzoeker
@nl
researcher ORCID ID = 0000-0002-2547-3985
@en
name
Shaohui Zheng
@ast
Shaohui Zheng
@en
Shaohui Zheng
@es
Shaohui Zheng
@nl
type
label
Shaohui Zheng
@ast
Shaohui Zheng
@en
Shaohui Zheng
@es
Shaohui Zheng
@nl
prefLabel
Shaohui Zheng
@ast
Shaohui Zheng
@en
Shaohui Zheng
@es
Shaohui Zheng
@nl
P106
P1153
55459617800
P31
P496
0000-0002-2547-3985