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Kristina M Herman

Showing results (1-10 of 16) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 28, 2023
An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing <i>ab initio</i> benchmark binding energies for water clusters <i>n</i> = 2-25Kristina M Herman, Sotiris S Xantheas
The Journal of Physical Chemistry Letters|January 24, 2023
A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice PhasesKristina M Herman, Sotiris S Xantheas
Journal of the American Chemical Society|August 11, 2025
Origins of Tetrahedral Order in IceKristina M Herman, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|January 24, 2023
A critical comparison of CH⋯π <i>versus</i> π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methodsKristina M Herman, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|July 15, 2022
A classical model for three-body interactions in aqueous ionic systemsKristina M Herman, Anthony J Stone, Sotiris S Xantheas
Journal of Chemical Theory and Computation|September 13, 2023
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction ModelKristina M Herman, Anthony J Stone, Sotiris S Xantheas
The Journal of Chemical Physics|October 1, 2022
Publisher's Note: "A classical model for three-body interactions in aqueous ionic systems" [J. Chem. Phys. 157, 024101 (2022)]Kristina M Herman, Anthony J Stone, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|April 26, 2021
The many-body expansion for aqueous systems revisited: III. Hofmeister ion-water interactionsKristina M Herman, Joseph P Heindel, Sotiris S Xantheas
Annual Review of Physical Chemistry|April 24, 2023
Many-Body Effects in Aqueous Systems: Synergies Between Interaction Analysis Techniques and Force Field DevelopmentJoseph P Heindel, Kristina M Herman, Sotiris S Xantheas
The Journal of Physical Chemistry Letters|August 4, 2021
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH<sub>4</sub>, CO<sub>2</sub>, and H<sub>2</sub>S in (H<sub>2</sub>O)<sub>20</sub> CagesJoseph P Heindel, Kristina M Herman, Edoardo Aprà, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|February 28, 2023
An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing <i>ab initio</i> benchmark binding energies for water clusters <i>n</i> = 2-25Kristina M Herman, Sotiris S Xantheas
The Journal of Physical Chemistry Letters|January 24, 2023
A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice PhasesKristina M Herman, Sotiris S Xantheas
Journal of the American Chemical Society|August 11, 2025
Origins of Tetrahedral Order in IceKristina M Herman, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|January 24, 2023
A critical comparison of CH⋯π <i>versus</i> π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methodsKristina M Herman, Edoardo Aprà, Sotiris S Xantheas
The Journal of Chemical Physics|July 15, 2022
A classical model for three-body interactions in aqueous ionic systemsKristina M Herman, Anthony J Stone, Sotiris S Xantheas
Journal of Chemical Theory and Computation|September 13, 2023
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction ModelKristina M Herman, Anthony J Stone, Sotiris S Xantheas
The Journal of Chemical Physics|October 1, 2022
Publisher's Note: "A classical model for three-body interactions in aqueous ionic systems" [J. Chem. Phys. 157, 024101 (2022)]Kristina M Herman, Anthony J Stone, Sotiris S Xantheas
Physical Chemistry Chemical Physics : PCCP|April 26, 2021
The many-body expansion for aqueous systems revisited: III. Hofmeister ion-water interactionsKristina M Herman, Joseph P Heindel, Sotiris S Xantheas
Annual Review of Physical Chemistry|April 24, 2023
Many-Body Effects in Aqueous Systems: Synergies Between Interaction Analysis Techniques and Force Field DevelopmentJoseph P Heindel, Kristina M Herman, Sotiris S Xantheas
The Journal of Physical Chemistry Letters|August 4, 2021
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH<sub>4</sub>, CO<sub>2</sub>, and H<sub>2</sub>S in (H<sub>2</sub>O)<sub>20</sub> CagesJoseph P Heindel, Kristina M Herman, Edoardo Aprà, et al.
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