Hydrogen dynamics in magnesium and graphite N Jacobson, B Tegner, E Schröder, P Hyldgaard, BI Lundqvist Computational materials science 24 (1-2), 273-277, 2002 | 79 | 2002 |
Water Adsorption on AnO2 {111}, {110}, and {100} Surfaces (An = U and Pu): A Density Functional Theory + U Study BE Tegner, M Molinari, A Kerridge, SC Parker, N Kaltsoyannis The Journal of Physical Chemistry C 121 (3), 1675-1682, 2017 | 64 | 2017 |
Room temperature acceptorless alkane dehydrogenation from molecular σ-alkane complexes AI McKay, AJ Bukvic, BE Tegner, AL Burnage, AJ Martı́nez-Martı́nez, ... Journal of the American Chemical Society 141 (29), 11700-11712, 2019 | 52 | 2019 |
Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2{111}, {110}, and {100} Surfaces (An = U, Pu): A Computational Study JPW Wellington, BE Tegner, J Collard, A Kerridge, N Kaltsoyannis The Journal of Physical Chemistry C 122 (13), 7149-7165, 2018 | 47 | 2018 |
Modulation of σ-Alkane Interactions in [Rh(L2)(alkane)]+ Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η2,η … AJ Martínez-Martínez, BE Tegner, AI McKay, AJ Bukvic, NH Rees, ... Journal of the American Chemical Society 140 (44), 14958-14970, 2018 | 46 | 2018 |
High temperature oxidation resistance in titanium–niobium alloys BE Tegner, L Zhu, C Siemers, K Saksl, GJ Ackland Journal of alloys and compounds 643, 100-105, 2015 | 37 | 2015 |
Relative strength of phase stabilizers in titanium alloys BE Tegner, L Zhu, GJ Ackland Physical Review B—Condensed Matter and Materials Physics 85 (21), 214106, 2012 | 37 | 2012 |
A structurally characterized cobalt (I) σ‐alkane complex TM Boyd, BE Tegner, GJ Tizzard, AJ Martínez‐Martínez, SE Neale, ... Angewandte Chemie International Edition 59 (15), 6177-6181, 2020 | 34 | 2020 |
A Series of Crystallographically Characterized Linear and Branched σ-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane AJ Bukvic, AL Burnage, GJ Tizzard, AJ Martínez-Martínez, AI McKay, ... Journal of the American Chemical Society 143 (13), 5106-5120, 2021 | 24 | 2021 |
Experimental and theoretical study of Ti-6Al-4V to 220 GPa SG MacLeod, BE Tegner, H Cynn, WJ Evans, JE Proctor, MI McMahon, ... Physical Review B—Condensed Matter and Materials Physics 85 (22), 224202, 2012 | 21 | 2012 |
Multiple water layers on AnO2 {111},{110}, and {100} surfaces (An= U, Pu): A computational study BE Tegner, N Kaltsoyannis Journal of Vacuum Science & Technology A 36 (4), 2018 | 17 | 2018 |
Selectivity of Rh⋅⋅⋅ H− C Binding in a σ‐Alkane Complex Controlled by the Secondary Microenvironment in the Solid State SK Furfari, BE Tegner, AL Burnage, LR Doyle, AJ Bukvic, SA Macgregor, ... Chemistry–A European Journal 27 (9), 3177-3183, 2021 | 15 | 2021 |
Pseudopotential errors in titanium BE Tegner, GJ Ackland Computational materials science 52 (1), 2-6, 2012 | 14 | 2012 |
Inverse isotope effects in single-crystal to single-crystal reactivity and the isolation of a rhodium cyclooctane σ-alkane complex LR Doyle, MR Galpin, SK Furfari, BE Tegner, AJ Martínez-Martínez, ... Organometallics 41 (3), 284-292, 2022 | 10 | 2022 |
Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh s-Alkane Complexes AG Algarra, AL Burnage, M Iannuzzi, T Krämer, SA Macgregor, REM Pirie, ... 21st Century Challenges in Chemical Crystallography II: Structural …, 2020 | 7 | 2020 |
An experimental and theoretical multi-mbar study of Ti-6Al-4V BE Tegner, SG MacLeod, H Cynn, J Proctor, WJ Evans, MI McMahon, ... MRS Online Proceedings Library (OPL) 1369, mrss11-1369-xx01-03, 2011 | 5 | 2011 |
Reversible temperature-induced polymorphic phase transitions of [Y (OAr) 3] and [Ce (OAr) 3](Ar= 2, 6-t Bu 2-4-MeC 6 H 2): interconversions between pyramidal and planar geometries MF Haddow, RJ Newland, BE Tegner, SM Mansell CrystEngComm 21 (18), 2884-2892, 2019 | 4 | 2019 |
Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh σ-Alkane Complexes AG Algarra, AL Burnage, M Iannuzzi, T Krämer, SA Macgregor, REM Pirie, ... 21st Century Challenges in Chemical Crystallography II, 183-228, 2021 | 3 | 2021 |
Phase stability of titanium alloys: a first principles study BE Tegner The University of Edinburgh, 2014 | 3 | 2014 |
Catalyst Design for Rh-Catalyzed Arene and Alkane C–H Borylation: The NHC Affects the Induction Period, and Indenyl is Superior to Cp PA Morton, AL Boyce, A Pišpek, LW Stewart, DJ Ward, BE Tegner, ... Organometallics 43 (9), 974-986, 2024 | 1 | 2024 |