Publications by authors named "Keith Refson"

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Ca[CO][CO] is a pyrocarbonate which can be formed at p, T-conditions prevalent in the Earth's transition zone.
Dominik Spahr, Lkhamsuren Bayarjargal, Maxim Bykov, Lukas Brüning, Pascal L Jurzick, Keith Refson

Commun Chem· October 2024

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The adsorption of nitrobenzene over an alumina-supported palladium catalyst: an infrared spectroscopic study.
Annelouise M McCullagh, Emma K Gibson, Stewart F Parker, Keith Refson, David Lennon

Phys Chem Chem Phys· October 2023

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Phonon mechanism for the negative thermal expansion of zirconium tungstate, ZrWO.
Leila H N Rimmer, Keith Refson, Martin T Dove

Phys Chem Chem Phys· June 2023

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Unique features of the structural phase transition in acetylene showing simultaneous characteristics of reconstructive, displacive and order-disorder.
Jie Peng, Sijie Zhang, Keith Refson, Martin T Dove

Phys Chem Chem Phys· April 2023

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The contribution of phonons to the thermal expansion of some simple cubic hexaboride structures: SmB, CaB, SrB and BaB.
Li Li, Keith Refson, Martin T Dove

Phys Chem Chem Phys· April 2023

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: inelastic neutron scattering simulations from force constants and visualization tools for phonon properties.
Rebecca Fair, Adam Jackson, David Voneshen, Dominik Jochym, Duc Le, Keith Refson

J Appl Crystallogr· December 2022

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New Insights on the Electronic-Structural Interplay in LaPdSb and CePdSb Intermetallic Compounds.
Matthias Josef Gutmann, Gheorghe Lucian Pascut, Kenichi Katoh, Martin von Zimmermann, Keith Refson

Materials (Basel)· November 2022

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Electronic, Structural, and Mechanical Properties of SiO_{2} Glass at High Pressure Inferred from its Refractive Index.
Sergey S Lobanov, Sergio Speziale, Björn Winkler, Victor Milman, Keith Refson

Phys Rev Lett· February 2022

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The ferroelastic phase transition in hydrogen cyanide studied by density functional theory.
Jie Peng, Sijie Zhang, Keith Refson, Martin T Dove

J Phys Condens Matter· December 2021

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Pressure-induced Pb-Pb bonding and phase transition in PbSnO.
Dominik Spahr, Michał Stękiel, Dominik Zimmer, Lkhamsuren Bayarjargal, Katja Bunk, Keith Refson

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2020

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Negative thermal expansion of cubic silicon dicarbodiimide, Si(NCN), studied bylattice dynamics.
Li Li, Keith Refson, Martin T Dove

J Phys Condens Matter· August 2020

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Structural phase transitions in malononitrile, CH(CN): crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases.
Lei Tan, Keith Refson, Martin T Dove

J Phys Condens Matter· June 2019

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Nanoscale momentum-resolved vibrational spectroscopy.
Fredrik S Hage, Rebecca J Nicholls, Jonathan R Yates, Dougal G McCulloch, Tracy C Lovejoy, Keith Refson

Sci Adv· June 2018

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Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study.
Regla Ayala, José Manuel Martínez, Rafael R Pappalardo, Keith Refson, Enrique Sánchez Marcos

J Phys Chem A· February 2018

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Mechanism of enhancement of ferroelectricity of croconic acid with temperature.
Sanghamitra Mukhopadhyay, Matthias J Gutmann, Mónica Jiménez-Ruiz, Dominik B Jochym, Kjartan T Wikfeldt, Keith Refson

Phys Chem Chem Phys· December 2017

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Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython.
Simone Sturniolo, Timothy F G Green, Robert M Hanson, Miri Zilka, Keith Refson

Solid State Nucl Magn Reson· September 2016

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Stabilization of 3d Transition Metal Hydrido Complexes in SrH2Mg2[Co(I)H5], BaH2Mg5[Co(-I)H4]2, and RbH2Mg5[Co(-I)H4 Ni(0)H4] via Easily Polarizable Hydride Ligands.
Henrik Fahlquist, David Moser, Dag Noréus, Keith Refson, Stewart F Parker

Inorg Chem· April 2016

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Reproducibility in density functional theory calculations of solids.
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Keith Refson

Science· March 2016

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Dimer-mediated cation diffusion in the stoichiometric ionic conductor Li3N.
Alexander D Mulliner, Peter D Battle, William I F David, Keith Refson

Phys Chem Chem Phys· February 2016

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Structure and spectroscopy of CuH prepared via borohydride reduction.
Elliot L Bennett, Thomas Wilson, Patrick J Murphy, Keith Refson, Alex C Hannon

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2015

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Assignment of the Internal Vibrational Modes of C70 by Inelastic Neutron Scattering Spectroscopy and Periodic-DFT.
Keith Refson, Stewart F Parker

ChemistryOpen· October 2015

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Diffusion in Li₂O studied by non-equilibrium molecular dynamics for 873 < T/K < 1603.
Alexander D Mulliner, Philippe C Aeberhard, Peter D Battle, William I F David, Keith Refson

Phys Chem Chem Phys· September 2015

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A first-principles study of the vibrational properties of crystalline tetracene under pressure.
Mayami Abdulla, Keith Refson, Richard H Friend, Peter D Haynes

J Phys Condens Matter· September 2015

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Lattice dynamics of α-cristobalite and the Boson peak in silica glass.
Björn Wehinger, Alexeï Bosak, Keith Refson, Alessandro Mirone, Aleksandr Chumakov

J Phys Condens Matter· August 2015

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Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment.
Matthias J Gutmann, Gabriella Graziano, Sanghamitra Mukhopadhyay, Keith Refson, Martin von Zimmerman

J Appl Crystallogr· August 2015

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