Johnson, Erin R.
Permanent URI for this collectionhttps://hdl.handle.net/10222/75136
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Item Open Access A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint)(American Institute of Physics, 2022-03-15) Weatherby, Joseph A.; Rumson, Adrian F.; Price, Alastair J. A.; Otero de la Roza, Alberto; Johnson, Erin R.Item Open Access Improved Quantitative Crystal-Structure Comparison using Powder Diffractograms via Anisotropic Volume Correction(Royal Society of Chemistry, 2021-09-17) Mayo, R. Alex; Johnson, Erin R.Item Open Access Theoretical Modeling of Structural Superlubricity in Rotated Bilayer Graphene, Hexagonal Boron Nitride, Molybdenum Disulfide, and Blue Phosphorene(Royal Society of Chemistry, 2021-08-10) Kabengele, Tilas; Johnson, Erin R.Item Open Access Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals(Royal Society of Chemistry, 2021-05-18) Feng, Xibo; Becke, Axel D.; Johnson, Erin R.Item Open Access Computational Modeling of Piezochromism in Molecular Crystals(2020-05-19) Feng, Xibo; Becke, Axel D.; Johnson, Erin R.Item Open Access Directed Ortho and Remote Metalation of Naphthalene 1,8-Diamide: Complementing SEAr Reactivity for the Synthesis of Substituted Naphthalenes(American Chemical Society, 2021-03-05) Jones, Christopher C. V.; Patel, Jignesh J.; Jansen-van Vuuren, Ross D.; Ross, Gregory M.; Keller, Bernd O.; Sauriol, Francoise; Schatte, Gabriele; Johnson, Erin R.; Snieckus, VictorItem Open Access Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds(American Chemical Society, 2021-03-25) Christian, Matthew S.; Johnson, Erin R.; Besmann, Theodore M.Item Open Access Application of XDM to ionic solids: the importance of dispersion for bulk moduli and crystal geometries(American Institute of Physics, 2020-08-06) Otero de la Roza, Alberto; Johnson, Erin R.Item Open Access Computational Modeling of Piezochromism in Molecular Crystals(American Institute of Physics, 2020-06-15) Feng, Xibo; Becke, Axel D.; Johnson, Erin R.Item Open Access Theoretical Investigation of Amino-Acid Adsorption on Hydroxylated Quartz Surfaces: Dispersion can Determine Enantioselectivity(Royal Society of Chemistry, 2020-07-06) Price, Alastair J. A.; Johnson, Erin R.Item Open Access What is “many-body” dispersion and should I worry about it?(Royal Society of Chemistry, 2020-04-06) Otero de la Roza, Alberto; LeBlanc, Luc M.; Johnson, Erin R.Item Open Access Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately(American Chemical Society, 2020-03-02) Otero de la Roza, Alberto; LeBlanc, Luc M.; Johnson, Erin R.Item Open Access Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules(American Chemical Society, 2019-12-17) Otero de la Roza, Alberto; Johnson, Erin R.Item Open Access Crystal-energy landscapes of active pharmaceutical ingredients using composite approaches(Royal Society of Chemistry, 2019-08-31) LeBlanc, Luc M.; Johnson, Erin R.Item Open Access Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals(American Chemical Society, 2019-08-01) Otero de la Roza, Alberto; LeBlanc, Luc M.; Johnson, Erin R.Item Open Access Correct charge transfer in CT complexes from the Becke’05 density functional(American Institute of Physics, 2018) Becke, Axel; Dale, Stephen; Johnson, ErinItem Open Access Interrogating the Becke’05 density functional for non-locality information(American Institute of Physics, 2017) Dale, Stephen; Johnson, Erin; Becke, AxelItem Open Access DFT treatment of strong correlation in 3d transition-metal diatomics(American Institute of Physics, 2017) Becke, Axel; Johnson, ErinItem Open Access Pervasive delocalisation error causes spurious proton transfer in organic acid‐base co‐crystals(Wiley, 2018) LeBlanc, Luc; Dale, Stephen; Taylor, Christopher; Becke, Axel; Day, Graeme; Johnson, ErinItem Open Access The effect of electronic excitation on London dispersion(NRC Research Press, 2018) Feng, Xibo; Otero de la Roza, Alberto; Johnson, Erin
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