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List of works by Daniel van Niekerk

A DFT Mechanistic Study of the trans-[OsVIO2(OH)4]2- and [OsVIIIO4(OH) n] n- ( n = 1, 2 cis) Comproportionation Proton-Coupled Electron Transfer Reaction

scientific article published on 24 July 2018

A DFT study to unravel the ligand exchange kinetics and thermodynamics of Os(VIII) oxo/hydroxido/aqua complexes in aqueous matrices

scientific article published on 18 March 2016

FALDI-based criterion for and the origin of an electron density bridge with an associated (3,-1) critical point on Bader's molecular graph

article

FALDI-based decomposition of an atomic interaction line leads to 3D representation of the multicenter nature of interactions

scientific article

Kinetic UV-Vis Spectroscopic and DFT Mechanistic Study of the Redox Reaction of [Os<sup>VIII</sup>O<sub>4</sub>(OH)<sub><i>n</i></sub>]<sup><i>n</i>-</sup> (<i>n</i> = 1, 2) and Methanol in a Basic Aqueous Matrix

scientific article published on 07 January 2021

Quantifying individual (anti)bonding molecular orbitals' contributions to chemical bonding

scientific article published on 17 September 2019

The fundamental flaw of the HSAB principle is revealed by a complete speciation analysis of the [PtCl(6-n)Br(n)](2-) (n = 0-6) system.

scientific article published in February 2015

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