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The Journal of Chemical Physics
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February 2, 2022
QM/MM optimization with quantum coupling: Host-guest interactions in a pentacene-doped p-terphenyl crystal
Andrés I Bertoni, Richard M Fogarty, Cristián G Sánchez, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2025
Accurate prediction of ionic liquid density-of-states from low-cost calculations
Richard M Fogarty, Richard P Matthews, Patricia A Hunt, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 8, 2023
Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study
Bingxin Li, Chengcheng Xiao, Nicholas M Harrison, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2019
Electron spectroscopy of ionic liquids: experimental identification of atomic orbital contributions to valence electronic structure
Richard M Fogarty, Robert G Palgrave, Richard A Bourne, et al.
The Journal of Chemical Physics
|
October 12, 2018
Experimental validation of calculated atomic charges in ionic liquids
Richard M Fogarty, Richard P Matthews, Claire R Ashworth, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2025
Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations
Frances K Towers Tompkins, Lewis G Parker, Richard M Fogarty, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2021
Experimental measurement and prediction of ionic liquid ionisation energies
Jake M Seymour, Ekaterina Gousseva, Alexander I Large, et al.
Chemical Communications (Cambridge, England)
|
September 9, 2024
Controlling and predicting alkyl-onium electronic structure
Frances K Towers Tompkins, Lewis G Parker, Richard M Fogarty, et al.
The Journal of Physical Chemistry Letters
|
March 10, 2025
d<sup>10</sup>s<sup>2</sup> Post-Transition Metal Anions: Identifying and Analyzing Their Dual-Mode Lewis Basicity
Jake M Seymour, Ekaterina Gousseva, Lewis G Parker, et al.
Faraday Discussions
|
October 26, 2017
Atomic charges of sulfur in ionic liquids: experiments and calculations
Richard M Fogarty, Rebecca Rowe, Richard P Matthews, et al.
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of 2
Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
February 2, 2022
QM/MM optimization with quantum coupling: Host-guest interactions in a pentacene-doped p-terphenyl crystal
Andrés I Bertoni, Richard M Fogarty, Cristián G Sánchez, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2025
Accurate prediction of ionic liquid density-of-states from low-cost calculations
Richard M Fogarty, Richard P Matthews, Patricia A Hunt, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 8, 2023
Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study
Bingxin Li, Chengcheng Xiao, Nicholas M Harrison, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2019
Electron spectroscopy of ionic liquids: experimental identification of atomic orbital contributions to valence electronic structure
Richard M Fogarty, Robert G Palgrave, Richard A Bourne, et al.
The Journal of Chemical Physics
|
October 12, 2018
Experimental validation of calculated atomic charges in ionic liquids
Richard M Fogarty, Richard P Matthews, Claire R Ashworth, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2025
Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations
Frances K Towers Tompkins, Lewis G Parker, Richard M Fogarty, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2021
Experimental measurement and prediction of ionic liquid ionisation energies
Jake M Seymour, Ekaterina Gousseva, Alexander I Large, et al.
Chemical Communications (Cambridge, England)
|
September 9, 2024
Controlling and predicting alkyl-onium electronic structure
Frances K Towers Tompkins, Lewis G Parker, Richard M Fogarty, et al.
The Journal of Physical Chemistry Letters
|
March 10, 2025
d<sup>10</sup>s<sup>2</sup> Post-Transition Metal Anions: Identifying and Analyzing Their Dual-Mode Lewis Basicity
Jake M Seymour, Ekaterina Gousseva, Lewis G Parker, et al.
Faraday Discussions
|
October 26, 2017
Atomic charges of sulfur in ionic liquids: experiments and calculations
Richard M Fogarty, Rebecca Rowe, Richard P Matthews, et al.
Page
of 2