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The Journal of Chemical Physics
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October 23, 2017
Interrogating the Becke'05 density functional for non-locality information
Stephen G Dale, Erin R Johnson, Axel D Becke
Physical Review Letters
|
June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation Model
Tim Gould, Stephen G Dale, Leeor Kronik, et al.
The Journal of Chemical Physics
|
January 9, 2022
Linear fractional charge behavior in density functional theory through dielectric tuning of conductor-like polarizable continuum model
Luke O Hemmingsen, Oliver A J Hervir, Stephen G Dale
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
The Journal of Physical Chemistry. A
|
May 8, 2015
Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment
Erin R Johnson, Owen J Clarkin, Stephen G Dale, et al.
The Journal of Physical Chemistry. A
|
March 12, 2024
Size Isn't Everything: Geometric Tuning in Polycyclic Aromatic Hydrocarbons and Its Implications for Carbon Nanodots
James M Scott, Stephen G Dale, James McBroom, et al.
The Journal of Chemical Physics
|
December 11, 2013
Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory
Erin R Johnson, Alberto Otero-de-la-Roza, Stephen G Dale, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory
Tianbo Li, Min Lin, Stephen G Dale, et al.
Angewandte Chemie (International Ed. in English)
|
September 25, 2018
Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals
Luc M LeBlanc, Stephen G Dale, Christopher R Taylor, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
October 23, 2017
Interrogating the Becke'05 density functional for non-locality information
Stephen G Dale, Erin R Johnson, Axel D Becke
Physical Review Letters
|
June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation Model
Tim Gould, Stephen G Dale, Leeor Kronik, et al.
The Journal of Chemical Physics
|
January 9, 2022
Linear fractional charge behavior in density functional theory through dielectric tuning of conductor-like polarizable continuum model
Luke O Hemmingsen, Oliver A J Hervir, Stephen G Dale
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
The Journal of Physical Chemistry. A
|
May 8, 2015
Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment
Erin R Johnson, Owen J Clarkin, Stephen G Dale, et al.
The Journal of Physical Chemistry. A
|
March 12, 2024
Size Isn't Everything: Geometric Tuning in Polycyclic Aromatic Hydrocarbons and Its Implications for Carbon Nanodots
James M Scott, Stephen G Dale, James McBroom, et al.
The Journal of Chemical Physics
|
December 11, 2013
Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory
Erin R Johnson, Alberto Otero-de-la-Roza, Stephen G Dale, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory
Tianbo Li, Min Lin, Stephen G Dale, et al.
Angewandte Chemie (International Ed. in English)
|
September 25, 2018
Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals
Luc M LeBlanc, Stephen G Dale, Christopher R Taylor, et al.
Page
of 3