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Molecular Structure–(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models

Journal of the American Chemical Society, 2021-03, Vol.143 (10), p.3817-3829

2021

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Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes

Organometallics, 2016-09, Vol.35 (17), p.2944-2954

2016

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Towards molecular electronic devices based on 'all-carbon' wires

Nanoscale, 2018-08, Vol.10 (29), p.14128-14138

2018

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Single‐Molecule Conductance Studies of Organometallic Complexes Bearing 3‐Thienyl Contacting Groups

Chemistry : a European journal, 2017-02, Vol.23 (9), p.2133-2143

2017

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Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions

Nanoscale, 2017-07, Vol.9 (28), p.9902-9912

2017

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Synthesis, Structure and Physical Properties of “Wire-like” Metal Complexes

Organometallics, 2020-12, Vol.39 (24), p.4667-4687

2020

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Spectroelectrochemistry: A valuable tool for the study of organometallic-alkyne, -vinylidene, -cumulene, -alkynyl and related complexes

Electrochimica acta, 2013-11, Vol.110, p.681-692

2013

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The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexes

Dalton transactions : an international journal of inorganic chemistry, 2013-03, Vol.42 (12), p.4240-4243

2013

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Coordinating Tectons. Experimental and Computational Infrared Data as Tools To Identify Conformational Isomers and Explore Electronic Structures of 4‑Ethynyl-2,2′-bipyridine Complexes

Organometallics, 2017-05, Vol.36 (10), p.1946-1961

2017

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Towards the design of effective multipodal contacts for use in the construction of Langmuir-Blodgett films and molecular junctions

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020, Vol.8 (2), p.672-682

2020

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New routes to organometallic molecular junctions via a simple thermal processing protocol

Journal of materials chemistry. C, Materials for optical and electronic devices, 2019, Vol.7 (22), p.6630-6640

2019

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Planar-chiral phosphino alkenylferrocenes – Synthesis, solid-state structure and electrochemistry

Journal of organometallic chemistry, 2014-02, Vol.751, p.742-753

2014

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Clusters as ligands: Synthesis, structure and coordination chemistry of ruthenium clusters derived from 4- and 5-ethynyl-2,2′-bipyridine

Journal of organometallic chemistry, 2016-06, Vol.812, p.190-196

2016

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Cross-coupling reactions of gold(I) alkynyl and polyyndiyl complexes

Journal of organometallic chemistry, 2011-05, Vol.696 (10), p.2172-2176

2011

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Towards molecular electronic devices based on 'all-carbon' wiresElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nr02347f

2018-07

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Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctionsElectronic supplementary information (ESI) available: Synthetic procedures and characterisation data. Details of computational analysis, descriptions of alternate junction geometries, plots showing calculated conductance as a function of Fermi energy for these different models and tabulated results. Plots of NMR spectra. Data from the single molecule studies is available from the University of Liv

2017-07

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New routes to organometallic molecular junctions a simple thermal processing protocol

Journal of materials chemistry. C, Materials for optical and electronic devices, 2019-06, Vol.7 (22), p.663-664

2019

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The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexesElectronic supplementary information (ESI) available: Full synthetic details, spectroscopic characterisation, electrochemical data and computational details. Plots of 4a and 4b and tables of crystallographic details, bond lengths and angles. Plots of selected frontier orbitals, tables of orbital energies, Mulliken population analyses and Cartesian coordinates from [2a′-4a′]n+ (n = 0,

2013-02

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Hybrid Modelling by Machine Learning Corrections of Analytical Model Predictions towards High-Fidelity Simulation Solutions

Materials, 2021-04, Vol.14 (8), p.1883

2021

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A simulation approach for local ice loads on ship structures in level ice

Marine structures, 2022-01, Vol.81, p.103117, Article 103117

2022

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A comparative study of the physicochemical properties of iron isomaltoside 1000 (Monofer®), a new intravenous iron preparation and its clinical implications

European journal of pharmaceutics and biopharmaceutics, 2011-08, Vol.78 (3), p.480-491

2011

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An algorithm for statistical evaluation of weld toe geometries using laser triangulation

International journal of fatigue, 2021-08, Vol.149, p.106293, Article 106293

2021

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Predicting compressive strength and behavior of ice and analyzing feature importance with explainable machine learning models

Ocean engineering, 2022-07, Vol.255, p.111396, Article 111396

2022

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Influence of the ice shape on ice-structure impact loads

Cold regions science and technology, 2024-05, Vol.221, p.104175, Article 104175

2024

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Establishing a common database of ice experiments and using machine learning to understand and predict ice behavior

Cold regions science and technology, 2019-06, Vol.162, p.56-73

2019

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Molecular Structure–(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models

Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes

Towards molecular electronic devices based on 'all-carbon' wires

Single‐Molecule Conductance Studies of Organometallic Complexes Bearing 3‐Thienyl Contacting Groups

Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions

Synthesis, Structure and Physical Properties of “Wire-like” Metal Complexes

Spectroelectrochemistry: A valuable tool for the study of organometallic-alkyne, -vinylidene, -cumulene, -alkynyl and related complexes

The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexes

Coordinating Tectons. Experimental and Computational Infrared Data as Tools To Identify Conformational Isomers and Explore Electronic Structures of 4‑Ethynyl-2,2′-bipyridine Complexes

Towards the design of effective multipodal contacts for use in the construction of Langmuir-Blodgett films and molecular junctions

New routes to organometallic molecular junctions via a simple thermal processing protocol

Planar-chiral phosphino alkenylferrocenes – Synthesis, solid-state structure and electrochemistry

Clusters as ligands: Synthesis, structure and coordination chemistry of ruthenium clusters derived from 4- and 5-ethynyl-2,2′-bipyridine

Cross-coupling reactions of gold(I) alkynyl and polyyndiyl complexes

Towards molecular electronic devices based on 'all-carbon' wiresElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nr02347f

New routes to organometallic molecular junctions a simple thermal processing protocol

Hybrid Modelling by Machine Learning Corrections of Analytical Model Predictions towards High-Fidelity Simulation Solutions

A simulation approach for local ice loads on ship structures in level ice

A comparative study of the physicochemical properties of iron isomaltoside 1000 (Monofer®), a new intravenous iron preparation and its clinical implications

An algorithm for statistical evaluation of weld toe geometries using laser triangulation

Predicting compressive strength and behavior of ice and analyzing feature importance with explainable machine learning models

Influence of the ice shape on ice-structure impact loads

Establishing a common database of ice experiments and using machine learning to understand and predict ice behavior

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