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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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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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Behavior of S, SO, and SO3 on Pt (001), (011), and (111) surfaces: A DFT study

The Journal of chemical physics, 2021-05, Vol.154 (19), p.194701-194701

2021

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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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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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Interaction of H 2 O 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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Comparative experimental and modelling study of the thermal and thermo-mechanical properties of LLDPE/wax blends

Journal of polymer research, 2022, Vol.29 (7), Article 296

2022

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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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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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Mixing thermodynamics and electronic structure of the Pt 1- x Ni x (0 ≤ x ≤ 1) bimetallic alloy

RSC advances, 2019-05, Vol.9 (30), p.16948-16954

2019

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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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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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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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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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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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Competitive Adsorption of H2O and SO2 on Catalytic Platinum Surfaces: a Density Functional Theory Study

South African journal of chemistry, 2021, Vol.74

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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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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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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Cyclometallated platinum(ii) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studiesElectronic supplementary information (ESI) available: Additional crystallographic data in CIF format and figures for IR spectra, UV spectra, tables for conductivity, UV data etc., as well as tables of structural refinement. Tables giving Cartesian coordinates for the calculated stationary structures obtained from the DFT calcula

2014-12

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Mixing thermodynamics and electronic structure of the PtNi (0 ≤ ≤ 1) bimetallic alloy

RSC advances, 2019-05, Vol.9 (3), p.16948-16954

2019

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

RSC advances, 2019-05, Vol.9 (30), p.16948-16954

2019

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Using site occupation disorder to build bulk structures of Ni1-xAlx

Suid-Afrikaanse tydskrif vir natuurwetenskap en tegnologie, 2022-01, Vol.40 (1), p.174-179

2022

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Density functional theory molecular modelling and experimental particle kinetics for CO sub(2)-char gasification

Carbon (New York), 2015-01, Vol.93, p.295-314

2015

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

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

Behavior of S, SO, and SO3 on Pt (001), (011), and (111) surfaces: A DFT study

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

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

Interaction of H 2 O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections

Comparative experimental and modelling study of the thermal and thermo-mechanical properties of LLDPE/wax blends

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

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

Mixing thermodynamics and electronic structure of the Pt 1- x Ni x (0 ≤ x ≤ 1) bimetallic alloy

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

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

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

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

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

Competitive Adsorption of H2O and SO2 on Catalytic Platinum Surfaces: a Density Functional Theory Study

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

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

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

Mixing thermodynamics and electronic structure of the PtNi (0 ≤ ≤ 1) bimetallic alloy

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

Using site occupation disorder to build bulk structures of Ni1-xAlx

Density functional theory molecular modelling and experimental particle kinetics for CO sub(2)-char gasification

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