Hydrogen Bonding Interactions and Dynamics: Water and Aqueous Systems

FOCUS · S25 · ID: 2154564

Presentations

  • ORAL · Invited

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    Publication: Wenjin Cao, Hui Wen, Sotiris S Xantheas, Xue-Bin Wang "The primary gas phase hydration shell of hydroxide", Sci. Adv.9, eadf4309(2023)
    Wenjin Cao, Hanhui Zhang, Qinqin Yuan, Xiaoguo Zhou, Steven R Kass, Xue-Bin Wang, "Observation and Exploitation of Spin–Orbit Excited Dipole-Bound States in Ion–Molecule Clusters", The Journal of Physical Chemistry Letters, 2021, 12, 11022-11028

    Presenters

    • Xue-Bin Wang

      • Pacific Northwest Natl Lab

    Authors

    • Xue-Bin Wang

      • Pacific Northwest Natl Lab

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  • ORAL

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    Publication: Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites, A.J. Rieth, K.M. Hunter, M. Dinča, F. Paesani, Nat. Commun. 10, 4771 (2019)
    Simulation meets experiment: Unraveling the properties of water in metal-organic frameworks through vibrational spectroscopy, K.M. Hunter, J.C. Wagner, M. Kalaj, S.M Cohen, W. Xiong, F. Paesani. J. Phys. Chem. C 125, 12451 (2021)
    Water capture mechanisms at zeolitic imidazolate framework interfaces, J.C. Wagner, K.M. Hunter, F. Paesani, W. Xiong. J. Am. Chem. Soc. 143, 21189 (2021)
    Structure and thermodynamics of water adsorption in NU-1500-Cr, C.-H. Ho, M.L. Valentine, Z. Chen, H. Xie, O.K. Farha, W. Xiong, F. Paesani, Commun. Chem. 6, 70 (2023)
    Elucidating the Competitive Adsorption of H2O and CO2 in CALF-20: New Insights for Enhanced Carbon Capture Metal–Organic Frameworks, C.-H. Ho, F. Paesani, ACS Appl. Mater. Interfaces 15, 41 (2023)

    Presenters

    • Ching-Hwa Ho

      • University of California, San Diego

    Authors

    • Francesco Paesani

      • University of California, San Diego

    • Ching-Hwa Ho

      • University of California, San Diego

    • Hilliary O Frank

      • University of California, San Diego

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  • ORAL

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    Publication: Planned paper: Combined Classical and AIMD Simulations for Understanding the Extraction Mechanism of Li/Na/K Ions Using p-toluene Sulfonate/4-(trifluoromethyl) Benzene Sulfonate in Aqueous Medium

    Presenters

    • Akshay Malik

      • University of Wisconsin Madison

    Authors

    • Akshay Malik

      • University of Wisconsin Madison

    • Arun Yethiraj

      • University of Wisconsin-Madison
      • Department of Chemistry, University of Wisconsin-Madison

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  • ORAL

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    Presenters

    • Sakib Matin

      • Los Alamos National Laboratory (LANL)
      • Los Alamos National Laboratory

    Authors

    • Sakib Matin

      • Los Alamos National Laboratory (LANL)
      • Los Alamos National Laboratory

    • Bowen Han

      • Oak Ridge National Laboratory
      • Oak Ridge National Lab

    • Justin Smith

      • Nvidia

    • Alice Allen

      • Los Alamos National Laboratory

    • Nicholas E Lubbers

      • Los Alamos National Laboratory

    • Adela Habib

      • Los Alamos National Laboratory

    • Nikita Fedik

      • Los Alamos National Laboratory

    • Xinyang Li

      • Los Alamos National Laboratory

    • Richard A Messerly

      • Los Alamos National Laboratory

    • Ben T Nebgen

      • Los Alamos Natl Lab

    • Ying Wai Li

      • Los Alamos National Laboratory
      • los alamos national laboratory

    • Sergei Tretiak

      • Los Alamos National Laboratory

    • Kipton Barros

      • Los Alamos Natl Lab
      • Los Alamos National Laboratory

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  • ORAL

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    Presenters

    • Tianran Chen

      • University of Tennessee, Knoxville

    Authors

    • Tianran Chen

      • University of Tennessee, Knoxville

    • David A Tennant

      • the University of Tennessee at Knoxville
      • Oak Ridge National Lab
      • University of Tennessee, Knoxville
      • University of Tennessee

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  • ORAL

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    Publication: Manuscript in preparation. "What is medium-density amorphous ice?" is currently in the writing and data analysis phase.

    Presenters

    • Ingrid de Almeida Ribeiro

      • The University of Utah

    Authors

    • Ingrid de Almeida Ribeiro

      • The University of Utah

    • Debdas Dhabal

      • The University of Utah

    • Suvo Banik

      • University of Illinois; Argonne National Laboratory
      • University of Illinois at Chicago

    • Arnab Neogi

      • University of Illinois; Argonne National Laboratory

    • Subramanian K Sankaranarayanan

      • University of Illinois, Argonne National

    • Valeria Molinero

      • The University of Utah

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  • ORAL

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    Presenters

    • Nicolas Giovambattista

      • The City University of New York, Brooklyn College
      • Brooklyn College of the City University of New York

    Authors

    • Nicolas Giovambattista

      • The City University of New York, Brooklyn College
      • Brooklyn College of the City University of New York

    • Ali H Eltareb

      • The City University of New York, Graduate Center
      • CUNY Graduate Center

    • Gustavo Lopez

      • The City University of New York, Lehman College
      • Lehman College of the City University of New York
      • Lehman College
      • CUNY-Lehman College
      • CUNY-Lehman College CUNY-Lehman College

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