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Journal of Chemical Theory and Computation
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June 1, 2016
Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory
A Otero-de-la-Roza, Gino A DiLabio, Erin R Johnson
Journal of Chemical Theory and Computation
|
June 3, 2016
Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model
Matthew S Christian, Alberto Otero-de-la-Roza, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
February 6, 2025
The role of the metal in metal/MoS<sub>2</sub> and metal/Ca<sub>2</sub>N/MoS<sub>2</sub> interfaces
Adrian F Rumson, Mohammad Rafiee Diznab, Jesse Maassen, et al.
The Journal of Physical Chemistry. B
|
June 8, 2018
Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model
Evan T Walters, Mohamad Mohebifar, Erin R Johnson, et al.
The Journal of Chemical Physics
|
December 11, 2013
Extreme density-driven delocalization error for a model solvated-electron system
Erin R Johnson, A Otero-de-la-Roza, Stephen G Dale
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2014
Density-functional description of electrides
Stephen G Dale, Alberto Otero-de-la-Roza, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
April 15, 2020
What is "many-body" dispersion and should I worry about it?
A Otero-de-la-Roza, Luc M LeBlanc, Erin R Johnson
The Journal of Chemical Physics
|
May 17, 2014
Metallophilic interactions from dispersion-corrected density-functional theory
Alberto Otero-de-la-Roza, Joel D Mallory, Erin R Johnson
Journal of Chemical Theory and Computation
|
September 22, 2017
Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction II: Nonplanar Molecules
Sarah R Whittleton, A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
August 2, 2019
Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals
A Otero-de-la-Roza, Luc M LeBlanc, Erin R Johnson
Page
of 14
Search research articles
Search
Showing results (71-80 of 135) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
June 1, 2016
Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory
A Otero-de-la-Roza, Gino A DiLabio, Erin R Johnson
Journal of Chemical Theory and Computation
|
June 3, 2016
Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model
Matthew S Christian, Alberto Otero-de-la-Roza, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
February 6, 2025
The role of the metal in metal/MoS<sub>2</sub> and metal/Ca<sub>2</sub>N/MoS<sub>2</sub> interfaces
Adrian F Rumson, Mohammad Rafiee Diznab, Jesse Maassen, et al.
The Journal of Physical Chemistry. B
|
June 8, 2018
Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model
Evan T Walters, Mohamad Mohebifar, Erin R Johnson, et al.
The Journal of Chemical Physics
|
December 11, 2013
Extreme density-driven delocalization error for a model solvated-electron system
Erin R Johnson, A Otero-de-la-Roza, Stephen G Dale
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2014
Density-functional description of electrides
Stephen G Dale, Alberto Otero-de-la-Roza, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
April 15, 2020
What is "many-body" dispersion and should I worry about it?
A Otero-de-la-Roza, Luc M LeBlanc, Erin R Johnson
The Journal of Chemical Physics
|
May 17, 2014
Metallophilic interactions from dispersion-corrected density-functional theory
Alberto Otero-de-la-Roza, Joel D Mallory, Erin R Johnson
Journal of Chemical Theory and Computation
|
September 22, 2017
Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction II: Nonplanar Molecules
Sarah R Whittleton, A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
August 2, 2019
Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals
A Otero-de-la-Roza, Luc M LeBlanc, Erin R Johnson
Page
of 14