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Jeanet Conradie

Professor

University of the Free State

South Africa

Research Interests

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Articles (31)

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Collaborators (5)

Charlene Marais

Senior Lecturer

University of the Free State

SOUTH AFRICA

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Samuele Ciattini

Universita degli Studi di Firenze Centro di Cristallografia Strutturale

ITALY

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Abhik Ghosh

Professor

UiT The Arctic University of Norway

NORWAY

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Mauro Perfetti

Associate Professor

University of Florence

ITALY

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Marthinus Rudi Swart

Senior Lecturer

University of the Free State

SOUTH AFRICA

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Jeanet Conradie

Research Interests

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Articles (31)

Surface-derived metal species from M(III) β-diketonato precursors on amine-capped 2-D silica wafers: XPS characterisation and apparent catalytic activity in urethane synthesis

Mn(III)-tris(benzoylacetonate) complex exhibiting a static rotational disorder: synthesis, crystal structure, magnetic properties, and DFT computations

DFT, TDDFT, UV–Vis and electrochemical investigation of chalcone sulfonate esters: Structure–property relationships and substituent effects

pKa prediction for small molecules: an overview of experimental, quantum, and machine learning-based approaches

A targeted review on pollution, sources and risks associated with PCBs in soil and sediment in Nigeria

Eco-friendly Composite Hydrogel Based on Sodium Alginate, Nanocellulose, and Eggshell Powder for Efficient Removal of Indigo Carmine Dye from Aqueous Systems: Synthesis, Characterization, and Adsorption Modeling

Periodic Trends in Low-Valent Group 14 and Group 15 Compounds: Theoretical Photoelectron Spectroscopy of Tetrylenes, Tetrylones, and Singlet Pnictinidenes

Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis

Nickel(II)-polypyridine complexes: bridging XPS insights with DFT calculations

Benchmark of DFT methods and QTAIM analysis of acetone clusters: Structure, stability and non-covalent interactions

Jahn–Teller Distortions in Pseudo‐Octahedral Low‐Spin Ni(III) Complexes With O,O or N,N Bidentate Ligands: A DFT Study

Comparative study of machine learning methods for accurate prediction of logP and pKb

Azo Hydrazone–Chalcone Hybrids: DFT and experimental insights into spectroscopic and redox behavior

Chlorinated Paraffins in Agroecosystems: A Silent Contaminant Threatening Soil Health and Crop Safety

Comprehensive Modeling of Acetone Clusters: QTAIM Analysis and QCE Study

Comparative Review of O,O′-, N,O-, and N,N′-Bidentate Ligands: Structural and Electronic Properties of β-Diketones, Enaminones, and β-Diketiminates

Utilization of Pine Needle Waste in Insulating Clay Bricks: Evaluation of Physical, Mechanical, and Thermal Properties

Structural, supramolecular framework and electrochemical analysis of β-diketonato Zn(II) complex by combined experimental and theoretical study

Review: Electrochemical properties of chalcones: Experimental insights, theoretical correlations, and future perspectives

MP2-level QTAIM ionic radii for twenty hydrated mono and divalent cations

Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II,II) and Ditungsten(II,II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods

Free-Base Corrole Anion

Rhenium Biscorrole Sandwich Compounds: XAS Evidence for a New Coordination Motif

Bidentate ligands in self-assembly: Synthesis, structure and applications

Review of the structure of tris(β-diketonato)manganese complexes

Quantum cluster equilibrium prediction of liquid ethanol

Computational Methods for Adsorption Study in Wastewater Treatment

Substituent effect on the oxidation and reduction of electronically altered iron(II)-terpyridine derivatives – DFT study

Metal complexes derived from bidentate ligands: Synthesis, catalytic and biological applications

DFT benchmarking for adsorption energy in wastewater treatment

Spectroscopic and DFT study of tris(β-diketonato)cobalt(III) complexes

Collaborators (5)

Charlene Marais

Samuele Ciattini

Abhik Ghosh

Mauro Perfetti

Marthinus Rudi Swart

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