Density functional theory in the solid state
Hasnip, Philip J., Refson, Keith, Probert, Matt I. J., Yates, Jonathan R., Clark, Stewart J., Pickard, Chris J.
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13.03.2014)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13.03.2014)
Get full text
Journal Article
Probing the sorption reactivity of the edge surfaces in birnessite nanoparticles using nickel(II)
Simanova, Anna A., Kwon, Kideok D., Bone, Sharon E., Bargar, John R., Refson, Keith, Sposito, Garrison, Peña, Jasquelin
Published in Geochimica et cosmochimica acta (01.09.2015)
Published in Geochimica et cosmochimica acta (01.09.2015)
Get full text
Journal Article
Which phonons contribute most to negative thermal expansion in ScF3?
Dove, Martin T., Wei, Zhongsheng, Phillips, Anthony E., Keen, David A., Refson, Keith
Published in APL materials (01.04.2023)
Published in APL materials (01.04.2023)
Get full text
Journal Article
Nanoscale momentum-resolved vibrational spectroscopy
Hage, Fredrik S, Nicholls, Rebecca J, Yates, Jonathan R, McCulloch, Dougal G, Lovejoy, Tracy C, Dellby, Niklas, Krivanek, Ondrej L, Refson, Keith, Ramasse, Quentin M
Published in Science advances (01.06.2018)
Published in Science advances (01.06.2018)
Get full text
Journal Article
Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study
Milman, Victor, Perlov, Alexander, Refson, Keith, Clark, Stewart J, Gavartin, Jacob, Winkler, Bjoern
Published in Journal of physics. Condensed matter (02.12.2009)
Published in Journal of physics. Condensed matter (02.12.2009)
Get full text
Journal Article
New Insights on the Electronic-Structural Interplay in LaPdSb and CePdSb Intermetallic Compounds
Gutmann, Matthias Josef, Pascut, Gheorghe Lucian, Katoh, Kenichi, Zimmermann, Martin von, Refson, Keith, Adroja, Devashibhai Thakarshibhai
Published in Materials (01.11.2022)
Published in Materials (01.11.2022)
Get full text
Journal Article
On the role of Mn(IV) vacancies in the photoreductive dissolution of hexagonal birnessite
Kwon, Kideok D., Refson, Keith, Sposito, Garrison
Published in Geochimica et cosmochimica acta (01.07.2009)
Published in Geochimica et cosmochimica acta (01.07.2009)
Get full text
Journal Article
Mechanisms of nickel sorption by a bacteriogenic birnessite
Peña, Jasquelin, Kwon, Kideok D., Refson, Keith, Bargar, John R., Sposito, Garrison
Published in Geochimica et cosmochimica acta (01.06.2010)
Published in Geochimica et cosmochimica acta (01.06.2010)
Get full text
Journal Article
Lattice dynamics and elasticity of SrCO3
Nguyen-Thanh, Tra, Bosak, Alexei, Bauer, Johannes D., Luchitskaia, Rita, Refson, Keith, Milman, Victor, Winkler, Bjoern
Published in Journal of applied crystallography (01.12.2016)
Published in Journal of applied crystallography (01.12.2016)
Get full text
Journal Article
Inelastic incoherent neutron scattering study of the molecular properties of pure hydrogen peroxide and its water mixtures of different concentration
Albers, Peter W, Glenneberg, Jürgen, Refson, Keith, Parker, Stewart F
Published in The Journal of chemical physics (28.04.2014)
Published in The Journal of chemical physics (28.04.2014)
Get more information
Journal Article
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
Fahlquist, Henrik, Moser, David, Noréus, Dag, Refson, Keith, Parker, Stewart F.
Published in Inorganic chemistry (04.04.2016)
Published in Inorganic chemistry (04.04.2016)
Get full text
Journal Article
Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment
Gutmann, Matthias J., Graziano, Gabriella, Mukhopadhyay, Sanghamitra, Refson, Keith, von Zimmerman, Martin
Published in Journal of applied crystallography (01.08.2015)
Published in Journal of applied crystallography (01.08.2015)
Get full text
Journal Article
Dimer-mediated cation diffusion in the stoichiometric ionic conductor Li3N
Mulliner, Alexander D, Battle, Peter D, David, William I F, Refson, Keith
Published in Physical chemistry chemical physics : PCCP (21.02.2016)
Published in Physical chemistry chemical physics : PCCP (21.02.2016)
Get full text
Journal Article
Local Atomic Order and Infrared Spectra of Biogenic Calcite
Gueta, Rachel, Natan, Amir, Addadi, Lia, Weiner, Steve, Refson, Keith, Kronik, Leeor
Published in Angewandte Chemie (International ed.) (01.01.2007)
Published in Angewandte Chemie (International ed.) (01.01.2007)
Get full text
Journal Article
Lattice dynamics and Mg/Ti order in orthorhombic pseudobrookite-type MgTi2 O5
He, Man, Winkler, Björn, Bauer, Johannes D., Bayarjargal, Lkhamsuren, Ruiz-Fuertes, Javier, Alencar, Igor, Morgenroth, Wolfgang, Refson, Keith, Milman, Victor
Published in Journal of alloys and compounds (01.03.2017)
Published in Journal of alloys and compounds (01.03.2017)
Get full text
Journal Article
Pressure‐induced Pb–Pb bonding and phase transition in Pb2SnO4
Spahr, Dominik, Stękiel, Michał, Zimmer, Dominik, Bayarjargal, Lkhamsuren, Bunk, Katja, Morgenroth, Wolfgang, Milman, Victor, Refson, Keith, Jochym, Dominik, Byrne, Peter J P, Winkler, Björn
Published in Acta crystallographica. Section B, Structural science (01.12.2020)
Published in Acta crystallographica. Section B, Structural science (01.12.2020)
Get full text
Journal Article