Johnson, Erin R.
Permanent URI for this collectionhttps://hdl.handle.net/10222/75136
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Item Open Access Requirements for an accurate dispersion-corrected density functional(American Institute of Physics, 2021-06-17) Price, Alastair J. A.; Bryenton, Kyle R.; Johnson, Erin R.Item Open Access Delocalization Error: The Greatest Outstanding Challenge in Density-Functional Theory(Wiley, 2022-07-01) Bryenton, Kyle R.; Adeleke, Adebayo A.; Dale, Stephen G.; Johnson, Erin R.Item Open Access Development and assessment of an improved powder-diffraction-based method for molecular crystal structure similarity(Royal Society of Chemistry, 2022-11-14) Mayo, R. Alex; Otero-de-la-Roza, Alberto; Johnson, Erin R.Item Open Access XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal energetics with unprecedented accuracy(Royal Society of Chemistry, 2022-12-15) Price, Alastair J. A.; Otero-de-la-Roza, Alberto; Johnson, Erin R.Item Open Access Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT(Royal Society of Chemistry, 2023-01-12) Price, Alastair J. A.; Mayo, R. Alex; Otero-de-la-Roza, Alberto; Johnson, Erin R.Item Open Access Effects of dispersion corrections on the theoretical description of bulk metals(American Physical Society, 2023-02-03) Adeleke, Adebayo A.; Johnson, Erin R.Item Open Access Quantitative Matching of Crystal Structures to Experimental Powder Diffractograms(Royal Society of Chemistry, 2023-04-04) Mayo, R. Alex; Marczenko, Katherine M.; Johnson, Erin R.Item Open Access Comparison of Density-Functional Theory Dispersion Corrections for the DES15K Database(American Chemical Society, 2023-10-04) Nickerson, Cameron J.; Bryenton, Kyle R.; Price, Alastair J. A.; Johnson, Erin R.Item Open Access Many-body dispersion in model systems and the sensitivity of self-consistent screening(American Institute of Physics, 2023-05-23) Bryenton, Kyle R.; Johnson, Erin R.Item Open Access Periodic trends in the structural, electronic, and transport properties of electrenes(Royal Society of Chemistry, 2023-06-16) Rafiee Diznab, Mohammad; Johnson, Erin R.; Maassen, JesseItem Open Access Low Thermal Expansion of Layered Electrides Predicted by DFT(American Institute of Physics, 2023-11-01) Rumson, Adrian F.; Johnson, Erin R.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.
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