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Stephen G Dale

Showing results (1-10 of 22) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 4, 2022
Poisoning density functional theory with benchmark sets of difficult systemsTim Gould, Stephen G Dale
The Journal of Chemical Physics|November 17, 2015
Counterintuitive electron localisation from density-functional theory with polarisable solvent modelsStephen G Dale, Erin R Johnson
The Journal of Physical Chemistry. A|October 20, 2018
Theoretical Descriptors of ElectridesStephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|October 4, 2017
The ionic versus metallic nature of 2D electrides: a density-functional descriptionStephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|May 5, 2017
Thermodynamic cycles of the alkali metal-ligand complexes central to electride formationStephen G Dale, 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
The Journal of Chemical Physics|June 10, 2018
Communication: Correct charge transfer in CT complexes from the Becke'05 density functionalAxel D Becke, Stephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|October 17, 2018
Density-functional description of alkalides: introducing the alkalide stateStephen G Dale, Axel D Becke, Erin R Johnson
Chemical Science|July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical spaceTim Gould, Bun Chan, Stephen G Dale, et al.
The Journal of Physical Chemistry Letters|March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and ApproximationsTim Gould, Zahed Hashimi, Leeor Kronik, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Physical Chemistry Chemical Physics : PCCP|March 4, 2022
Poisoning density functional theory with benchmark sets of difficult systemsTim Gould, Stephen G Dale
The Journal of Chemical Physics|November 17, 2015
Counterintuitive electron localisation from density-functional theory with polarisable solvent modelsStephen G Dale, Erin R Johnson
The Journal of Physical Chemistry. A|October 20, 2018
Theoretical Descriptors of ElectridesStephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|October 4, 2017
The ionic versus metallic nature of 2D electrides: a density-functional descriptionStephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|May 5, 2017
Thermodynamic cycles of the alkali metal-ligand complexes central to electride formationStephen G Dale, 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
The Journal of Chemical Physics|June 10, 2018
Communication: Correct charge transfer in CT complexes from the Becke'05 density functionalAxel D Becke, Stephen G Dale, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP|October 17, 2018
Density-functional description of alkalides: introducing the alkalide stateStephen G Dale, Axel D Becke, Erin R Johnson
Chemical Science|July 19, 2024
Identifying and embedding transferability in data-driven representations of chemical spaceTim Gould, Bun Chan, Stephen G Dale, et al.
The Journal of Physical Chemistry Letters|March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and ApproximationsTim Gould, Zahed Hashimi, Leeor Kronik, et al.
Pageof 3