Thomas Headen

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ISIS Pulsed Neutron and Muon Source

United Kingdom

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CBET-EPSRC Molecular Engineering of Inhibitors to Self-Assembly: Fundamental structure informing in silico design

Open Date: 2018-01-01

Close Date: 2019-12-31

Articles (20)

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Collaborators (14)

Neal Skipper

University College London

UNITED KINGDOM

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Adam J. Clancy

University College London

UNITED KINGDOM

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Mark Light

University of Southampton

UNITED KINGDOM

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Ralf Ludwig

Prof. Dr.

University of Rostock

GERMANY

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Panagiotis Hadjidoukas

Associate Professor

University of Patras

GREECE

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Emily Byrne

The Queen's University Belfast

UNITED KINGDOM

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Cillian Cockrell

Lecturer in Mechanical Engineering

Bangor University

UNITED KINGDOM

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Sarantos Marinakis

University of East London

UNITED KINGDOM

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Malgorzata Swadzba-Kwasny

The Queen's University Belfast

UNITED KINGDOM

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Paul McMillan

University College London

UNITED KINGDOM

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John Holbrey

The Queen's University Belfast

UNITED KINGDOM

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Andrea Sella

University College London

UNITED KINGDOM

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Gregory Rees

University of Oxford

UNITED KINGDOM

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Lorna Dougan

Associate Professor

University of Leeds

UNITED KINGDOM

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Thomas Headen

Research Interests

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Recent Grants

Articles (20)

Molecular dynamics simulations of liquid nitrogen monoxide

Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces

A molecular dynamics study of the effect of annealing temperature on the structure of ASW

Calculation of consistent neutron-weighted total structure factors from coarse-grained simulation data

Lithium solvation and anion-dominated domain structure in water-in-salt electrolytes

Specific ion effects enhance local structure in zwitterionic osmolyte solutions

Using neutrons to ascertain the impact of deposition temperature on amorphous solid water

Metastable Dihydrate of Sodium Chloride at Ambient Pressure

Imidazolium-Based Ionic Liquid Electrolytes for Fluoride Ion Batteries

Trimethylamine-N-oxide depletes urea in a peptide solvation shell

The local ordering of polar solvents around crystalline carbon nitride nanosheets in solution

Quantification and Distribution of Three Types of Hydrogen Bonds in Mixtures of an Ionic Liquid with the Hydrogen-Bond-Accepting Molecular Solvent DMSO Explored by Neutron Diffraction and Molecular Dynamics Simulations

Weak Interactions in Dimethyl Sulfoxide (DMSO)–Tertiary Amide Solutions: The Versatility of DMSO as a Solvent

A total scattering study of prenucleation structures in saturated aqueous magnesium sulfate – observation of extended clusters

The structure of liquid thiophene from total neutron scattering

The structure of protic ionic liquids based on sulfuric acid, doped with excess of sulfuric acid or with water

Microscopic Structure of Liquid Nitric Oxide

Toward unveiling structure and property relationships from ionic ordering in Li/S battery electrolytes: Neutron total scattering and molecular dynamics simulations

The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure

Atomic structure of the continuous random network of amorphous C[(C6H4)2]2 PAF-1

Collaborators (14)

Neal Skipper

Adam J. Clancy

Mark Light

Ralf Ludwig

Panagiotis Hadjidoukas

Emily Byrne

Cillian Cockrell

Sarantos Marinakis

Malgorzata Swadzba-Kwasny

Paul McMillan

John Holbrey

Andrea Sella

Gregory Rees

Lorna Dougan

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