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Role of Intrinsic Factors of Polyimides in Glass Transition Temperature: An Atomistic Investigation

The journal of physical chemistry. B, 2019-10, Vol.123 (40), p.8569-8579

2019

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Density functional theory molecular modelling and experimental particle kinetics for CO2–char gasification

Carbon (New York), 2015-11, Vol.93, p.295-314

2015

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Geographical information system software as in-house chemical indexing database for catalyst screening of alkene metathesis catalysts

Catalysis today, 2020-02, Vol.342, p.187-196

2020

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Africa-UK Partnership for the Computer-aided Development of Sustainable Catalysts

South African journal of chemistry, 2021, Vol.74 (se1), p.1-2

2021

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Recent developments of carbon nanotubes-based nanocomposites for hydrogen production, carbon dioxide capture and conversion

Results in Chemistry, 2024-01, Vol.7, p.101496, Article 101496

2024

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Towards a better understanding of alkene metathesis: elucidating the properties of the major metal carbene catalyst types

Monatshefte für Chemie, 2015-07, Vol.146 (7), p.1115-1129

2015

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Catalytic dissociation of a water molecule on the (111) surfaces of Pt0.5Ni0.5 bimetal: Density functional theory (DFT) study

Applied surface science, 2022-11, Vol.602, p.154238, Article 154238

2022

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Interaction of H2O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections

Journal of physical chemistry. C, 2019-11, Vol.123 (45), p.27465-27476

2019

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Synthesis and structural investigation of mono- and dimetallic N-heterocyclic carbene complexes of group VII transition metals

Journal of organometallic chemistry, 2017-05, Vol.835, p.60-69

2017

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Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy

RSC advances, 2019, Vol.9 (30), p.16948-16954

2019

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Interaction of SO2 with the Platinum (001), (011), and (111) Surfaces: A DFT Study

Catalysts, 2020-05, Vol.10 (5), p.558

2020

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Thermodynamics of the Atomic Distribution in Pt

South African journal of chemistry, 2021-11, Vol.74 (se1), p.36-41

2021

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Thermodynamics of the Atomic Distribution in Pt3Pd2, Pt2Pd3 and their Corresponding (111) Surfaces

South African journal of chemistry, 2021, Vol.74

2021

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Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies

Dalton transactions : an international journal of inorganic chemistry, 2015-01, Vol.44 (4), p.1969-1981

2015

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Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(II) complexes

Dalton transactions : an international journal of inorganic chemistry, 2013-08, Vol.42 (31), p.11163-11179

2013

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Improved metathesis lifetime: chelating pyridinyl-alcoholato ligands in the second generation Grubbs precatalyst

Molecules (Basel, Switzerland), 2014-04, Vol.19 (5), p.5522-5537

2014

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Synthesis and Application of Novel Ruthenium Catalysts for High Temperature Alkene Metathesis

Catalysts, 2017-01, Vol.7 (1), p.22-22

2017

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Molecular modelling of tantalum penta-halides during hydrolysis and oxidation reactions

Suid-Afrikaanse tydskrif vir natuurwetenskap en tegnologie, 2017-07, Vol.36 (1)

2017

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Molekuulmodellering van tantaalpentahaliedes tydens hidrolise- en oksidasiereaksies

Suid-Afrikaanse tydskrif vir natuurwetenskap en tegnologie, 2017-02, Vol.36 (1), p.1-2

2017

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Molecular Modelling of the Hydrolysis of Tantalum and Niobium Pentafluoride

Advanced materials research, 2014-10, Vol.1019, p.406-411

2014

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Role of Intrinsic Factors of Polyimides in Glass Transition Temperature: An Atomistic Investigation

Density functional theory molecular modelling and experimental particle kinetics for CO2–char gasification

Geographical information system software as in-house chemical indexing database for catalyst screening of alkene metathesis catalysts

Africa-UK Partnership for the Computer-aided Development of Sustainable Catalysts

Recent developments of carbon nanotubes-based nanocomposites for hydrogen production, carbon dioxide capture and conversion

Towards a better understanding of alkene metathesis: elucidating the properties of the major metal carbene catalyst types

Catalytic dissociation of a water molecule on the (111) surfaces of Pt0.5Ni0.5 bimetal: Density functional theory (DFT) study

Interaction of H2O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections

Synthesis and structural investigation of mono- and dimetallic N-heterocyclic carbene complexes of group VII transition metals

Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy

Interaction of SO2 with the Platinum (001), (011), and (111) Surfaces: A DFT Study

Thermodynamics of the Atomic Distribution in Pt

Thermodynamics of the Atomic Distribution in Pt3Pd2, Pt2Pd3 and their Corresponding (111) Surfaces

Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies

Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(II) complexes

Improved metathesis lifetime: chelating pyridinyl-alcoholato ligands in the second generation Grubbs precatalyst

Synthesis and Application of Novel Ruthenium Catalysts for High Temperature Alkene Metathesis

Molecular modelling of tantalum penta-halides during hydrolysis and oxidation reactions

Molekuulmodellering van tantaalpentahaliedes tydens hidrolise- en oksidasiereaksies

Molecular Modelling of the Hydrolysis of Tantalum and Niobium Pentafluoride

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