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Journal of Computational Chemistry
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July 21, 2010
A fast and accurate algorithm for QTAIM integration in solids
A Otero-de-la-Roza, Víctor Luaña
The Journal of Chemical Physics
|
August 17, 2012
A benchmark for non-covalent interactions in solids
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
June 8, 2013
Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
June 22, 2017
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory
A Otero-de-la-Roza, Gino A DiLabio
The Journal of Physical Chemistry. A
|
December 18, 2019
Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
August 11, 2020
Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
February 15, 2013
Many-body dispersion interactions from the exchange-hole dipole moment model
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
May 16, 2012
Van der Waals interactions in solids using the exchange-hole dipole moment model
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
November 18, 2015
Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
May 30, 2020
Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large Systems
A Otero-de-la-Roza, Gino A DiLabio
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
July 21, 2010
A fast and accurate algorithm for QTAIM integration in solids
A Otero-de-la-Roza, Víctor Luaña
The Journal of Chemical Physics
|
August 17, 2012
A benchmark for non-covalent interactions in solids
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
June 8, 2013
Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
June 22, 2017
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory
A Otero-de-la-Roza, Gino A DiLabio
The Journal of Physical Chemistry. A
|
December 18, 2019
Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
August 11, 2020
Application of XDM to ionic solids: The importance of dispersion for bulk moduli and crystal geometries
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
February 15, 2013
Many-body dispersion interactions from the exchange-hole dipole moment model
A Otero-de-la-Roza, Erin R Johnson
The Journal of Chemical Physics
|
May 16, 2012
Van der Waals interactions in solids using the exchange-hole dipole moment model
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
November 18, 2015
Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model
A Otero-de-la-Roza, Erin R Johnson
Journal of Chemical Theory and Computation
|
May 30, 2020
Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large Systems
A Otero-de-la-Roza, Gino A DiLabio
Page
of 3