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Journal of Chemical Theory and Computation|November 1, 2021
Molecular Dynamics Driven by the Many-Body Expansion (MBE-MD)Joseph P Heindel, Sotiris S XantheasJournal of Chemical Theory and Computation|March 12, 2021
The Many-Body Expansion for Aqueous Systems Revisited: II. Alkali Metal and Halide Ion-Water InteractionsJoseph P Heindel, Sotiris S XantheasJournal of Chemical Theory and Computation|October 16, 2020
The Many-Body Expansion for Aqueous Systems Revisited: I. Water-Water InteractionsJoseph P Heindel, Sotiris S XantheasThe Journal of Chemical Physics|September 8, 2022
Hydrogen bond arrangements in (H2O)20, 24, 28 clathrate hydrate cages: Optimization and many-body analysisJoseph P Heindel, Mikhail V Kirov, Sotiris S XantheasAnnual 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 XantheasPhysical 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 XantheasThe Journal of Chemical Physics|December 12, 2019
Atlas of putative minima and low-lying energy networks of water clusters n = 3-25Avijit Rakshit, Pradipta Bandyopadhyay, Joseph P Heindel, et al.The Journal of Physical Chemistry Letters|August 4, 2021
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH4, CO2, and H2S in (H2O)20 CagesJoseph P Heindel, Kristina M Herman, Edoardo Aprà, et al.Journal of Chemical Theory and Computation|August 15, 2018
Benchmark Electronic Structure Calculations for H3O+(H2O) n, n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body CorrectionJoseph P Heindel, Qi Yu, Joel M Bowman, et al.The Journal of Chemical Physics|February 11, 2024
Descriptors of water aggregationGarrett D Santis, Kristina M Herman, Joseph P Heindel, et al.Pageof 15