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The Journal of Chemical Physics|October 2, 2007
A unified density-functional treatment of dynamical, nondynamical, and dispersion correlationsAxel D Becke, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|October 11, 2016
The explicit examination of the magnetic states of electridesStephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|July 14, 2020
Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivityAlastair J Price, Erin R Johnson
The Journal of Chemical Physics|January 17, 2015
New XDM-corrected potential energy surfaces for Ar-NO(X(2)Π): a comparison with CCSD(T) calculations and experimentsMichael Warehime, Erin R Johnson, Jacek Kłos
Acta Crystallographica. Section C, Structural Chemistry|July 8, 2026
Best practices in `0 K' DFT energy calculations on molecular crystal structuresJacco van de Streek, Erin R Johnson
Journal of Chemical Theory and Computation|November 24, 2015
Density-Functional Errors in Alkanes: A Real-Space PerspectiveErin R Johnson, Julia Contreras-García, Weitao Yang
The Journal of Chemical Physics|August 17, 2012
A benchmark for non-covalent interactions in solidsA Otero-de-la-Roza, Erin R Johnson
Nanoscale|July 5, 2023
Periodic trends in the structural, electronic, and transport properties of electrenesMohammad Rafiee Diznab, Erin R Johnson, Jesse Maassen
The Journal of Chemical Physics|November 2, 2010
Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardnessErin R Johnson, Weitao Yang, Ernest R Davidson
The Journal of Chemical Physics|February 15, 2013
Many-body dispersion interactions from the exchange-hole dipole moment modelA Otero-de-la-Roza, Erin R Johnson
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