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Novel green phosphorene as a superior chemical gas sensing material

Journal of hazardous materials, 2021-01, Vol.401, p.123340-123340, Article 123340

2021

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Drastic Improvement in Gas-Sensing Characteristics of Phosphorene Nanosheets under Vacancy Defects and Elemental Functionalization

Journal of physical chemistry. C, 2018-09, Vol.122 (35), p.20186-20193

2018

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‘Transformative’: the threshold learning outcomes for science

Australian journal of chemistry, 2023-09, Vol.76 (12), p.908-920

2023

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Counterpoise correction from a practical perspective: is the result worth the cost?

Australian journal of chemistry, 2023-09, Vol.76 (12), p.864-874

2023

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Palladium-mediated CO2 extrusion followed by insertion of ketenes: translating mechanistic studies to develop a one-pot method for the synthesis of ketones

Australian journal of chemistry, 2023-05, Vol.76 (12), p.825-836

2023

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Electronic structure study of H3BXH3 (X═B, N and P) as hydrogen storage materials using calculated NMR and XPS spectra

Australian journal of chemistry, 2023-09, Vol.76 (12), p.854-863

2023

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Evidence for widespread torsion–vibration interaction in substituted toluenes

Australian journal of chemistry, 2023-09, Vol.76 (12), p.893-907

2023

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A computational search of the ideal metal fragment for monohapto coordination of dihydrogen

Australian journal of chemistry, 2023-09, Vol.76 (12), p.885-892

2023

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Photovoltaic properties of hole transport materials for organic solar cell (OSC) applications: physiochemical insight and in silico designing

Australian journal of chemistry, 2022-07, Vol.75 (6), p.399-411

2022

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The mechanism of cleavage of Evans chiral auxiliaries by LiOOH: origins of the different regioselectivities obtained with LiOH, LiOOH, LiOBn and LiSBn

Australian journal of chemistry, 2023-09, Vol.76 (12), p.847-853

2023

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Development of a 3-D-printable device for continuous measuring of heavy metal ion concentrations

Australian journal of chemistry, 2023-08, Vol.76 (12), p.875-884

2023

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Quantum chemical and photovoltaic modeling of D-π-A organic dyes based on substituted arylamine electron donors in dye sensitized solar cells

Australian journal of chemistry, 2022-12, Vol.75 (12), p.966-973

2022

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Exploring the electronic properties of N-doped graphene on graphitic and pyridinic models and its interaction with K

Australian journal of chemistry, 2022-05, Vol.75 (5), p.325-330

2022

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Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: an efficient way to store CO2

Nanotechnology, 2018, Vol.29 (41)

2018

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Computational investigation into the gas-phase ozonolysis of the conjugated monoterpene α-phellandrene

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (40), p.27991-28002

2016

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Efficient and selective sensing of nitrogen-containing gases by Si2BN nanosheets under pristine and pre-oxidized conditions

Applied surface science, 2019-03, Vol.469, p.775-780

2019

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Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure

Carbon (New York), 2020-08, Vol.163, p.213-223

2020

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Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]

Theoretical chemistry accounts, 2006-04, Vol.115 (4), p.330-333

2006

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W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

The Journal of chemical physics, 2006-10, Vol.125 (14), p.144108-144108

2006

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Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen storage performances

Journal of alloys and compounds, 2018-05, Vol.744, p.574-582

2018

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Efficient and selective sensing of nitrogen-containing gases by Si 2 BN nanosheets under pristine and pre-oxidized conditions

Applied surface science, 2019-03, Vol.469, p.775

2019

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The reaction of the benzene cation with acetylenes for the growth of PAHs in the interstellar medium

Chemical physics letters, 2014-03, Vol.595-596, p.13-19

2014

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Computational investigation into the gas-phase ozonolysis of the conjugated monoterpene α-phellandreneElectronic supplementary information (ESI) available: Additional discussion, tables, figures and reactions equations and quantum chemical data for all species discussed in this paper. See DOI: 10.1039/c6cp04695a

2016-10

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Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: an efficient way to store CO 2

Nanotechnology, 2018-10, Vol.29 (41), p.415502

2018

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Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (2), p.709-716

2006

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Novel green phosphorene as a superior chemical gas sensing material

Drastic Improvement in Gas-Sensing Characteristics of Phosphorene Nanosheets under Vacancy Defects and Elemental Functionalization

‘Transformative’: the threshold learning outcomes for science

Counterpoise correction from a practical perspective: is the result worth the cost?

Palladium-mediated CO2 extrusion followed by insertion of ketenes: translating mechanistic studies to develop a one-pot method for the synthesis of ketones

Electronic structure study of H3BXH3 (X═B, N and P) as hydrogen storage materials using calculated NMR and XPS spectra

Evidence for widespread torsion–vibration interaction in substituted toluenes

A computational search of the ideal metal fragment for monohapto coordination of dihydrogen

Photovoltaic properties of hole transport materials for organic solar cell (OSC) applications: physiochemical insight and in silico designing

The mechanism of cleavage of Evans chiral auxiliaries by LiOOH: origins of the different regioselectivities obtained with LiOH, LiOOH, LiOBn and LiSBn

Development of a 3-D-printable device for continuous measuring of heavy metal ion concentrations

Quantum chemical and photovoltaic modeling of D-π-A organic dyes based on substituted arylamine electron donors in dye sensitized solar cells

Exploring the electronic properties of N-doped graphene on graphitic and pyridinic models and its interaction with K

Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: an efficient way to store CO2

Computational investigation into the gas-phase ozonolysis of the conjugated monoterpene α-phellandrene

Efficient and selective sensing of nitrogen-containing gases by Si2BN nanosheets under pristine and pre-oxidized conditions

Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure

Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen storage performances

Efficient and selective sensing of nitrogen-containing gases by Si 2 BN nanosheets under pristine and pre-oxidized conditions

The reaction of the benzene cation with acetylenes for the growth of PAHs in the interstellar medium

Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: an efficient way to store CO 2

Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions

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