Browsing Faculty of Science by Author "05d64218-09dc-4f4e-9e2c-42f29c9effb8"
Now showing items 21-27 of 27
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Pervasive delocalisation error causes spurious proton transfer in organic acid‐base co‐crystals
LeBlanc, Luc; Dale, Stephen; Taylor, Christopher; Becke, Axel; Day, Graeme; Johnson, Erin (Wiley, 2018) -
Pressure-Induced Isostructural Antiferromagnetic-Ferromagnetic Transition in an Organic Electride
Dale, Stephen; Otero de la Roza, Alberto; Johnson, Erin (American Chemical Society, 2018) -
Quantitative electron delocalization in solids from maximally localized Wannier functions
Otero de la Roza, Alberto; Martín Pendás, Angel; Johnson, Erin (American Chemical Society, 2018) -
Reevaluating the Stability and Prevalence of Conglomerates: Implications for Preferential Crystallization
Otero de la Roza, Alberto; Hein, Jason; Johnson, Erin (American Chemical Society, 2016) -
Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model
Christian, Matthew; Otero de la Roza, Alberto; Johnson, Erin (American Chemical Society, 2016) -
Theoretical Descriptors of Electrides
Dale, Stephen; Johnson, Erin (American Chemical Society, 2018) -
Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation
Dale, Stephen; Johnson, Erin (Royal Society of Chemistry, 2017)