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Structure and Spectroscopy of Molecules and Clusters

ORAL · N02 · ID: 47252

Presentations

  • Determining the X-ray absorption signatures of Ga(I) and Ga(III) in molecular complexes and crystals

    ORAL

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    Publication: Groden, K.; Vila, F. D.; Li, L.; Bare, S.; Scott, S.; McEwen, J.-S. "First Principles Approach to Extracting Chemical Information from X-Ray Absorption Near-Edge Spectra of Ga-Containing Materials", https://doi.org/10.33774/chemrxiv-2021-qtfg0, 2021.

    Presenters

    • Fernando D Vila

      University of Washington

    Authors

    • Fernando D Vila

      University of Washington

    • Li Li

      UC Santa Barbara

    • Kyle Groden

      Washington State University

    • Jean-Sabin McEwen

      Washington State University

    • Simon R Bare

      SLAC

    • Susannah L Scott

      UC Santa Barbara

    View abstract →

  • Low Temperature STM Studies of Single Rare-Earth Molecules on Surfaces

    ORAL

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    Presenters

    • Kyaw Zin Latt

      Ohio University, Argonne National Laboratory, Nanoscience & Technology Division, Argonne National laboratory

    Authors

    • Kyaw Zin Latt

      Ohio University, Argonne National Laboratory, Nanoscience & Technology Division, Argonne National laboratory

    • Daniel J Trainer

      Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States, Argonne National Laboratory, Temple University

    • Tolulope Michael M Ajayi

      Ohio University, Ohio University & Argonne National Laboratory

    • Vijay R Singh

      Department of Chemical Engineering, University of Illinois at Chicago, Chicago, Illinois 60608, United States, Materials Science Division, ANL, Argonne, IL, USA, Department of Physics, University of Illinois at Chicago, Chicago, IL, 60607, Univ Illinois at Chicago & MSD, ANL, University of Illinois at Chicago, Chemical Engineering Department, University of Illinois at Chicago, Department of Chemical Engineering, University of Illinois at Chicago, Chicago, Illinois 60608, United States, Materials Science Division, Argonne National Laboratory, IL, USA

    • Shaoze Wang

      Ohio University, Ohio University & Argonne National Laboratory, Physics & Astronomy Department, Ohio University & Argonne National Laboratory

    • Sineth Premarathna

      Ohio University, Ohio University & Argonne National Laboratory, Department of Physics & Astronomy, Ohio University & Argonne National Laboratory

    • Xinyue Cheng

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    • Sanjoy Sarkar

      Ohio University, Department of Physics & Astronomy, Ohio University

    • Anh T Ngo

      Univ of Illinois at Chicago & MSD, ANL, University of Illinois at Chicago, Univeristy of Illinois at Chicago; Argonne National Laboratory, Argonne National Laboratory, Chemical Engineering Department, University of Illinois at Chicago

    • Eric Masson

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    • Saw Wai, Hla

      Argonne National Lab; Ohio University, Argonne National Laboratory, Argonne National Laboratory; Ohio University

    View abstract →

  • Chiral Rare-Earth Molecular Clusters

    ORAL

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    Presenters

    • Sineth Premarathna

      Ohio University, Ohio University & Argonne National Laboratory, Department of Physics & Astronomy, Ohio University & Argonne National Laboratory

    Authors

    • Saw W Hla

      Nanoscale and Quantum Phenomena Institute, Physics & Astronomy Department, Ohio University, Athens, Ohio 45701, United States, Center for Nanoscale Materials, ANL, IL, USA, Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States, Ohio University, Ohio University and Argonne National Laboratory, Ohio University & Argonne National Laboratory

    • Sineth Premarathna

      Ohio University, Ohio University & Argonne National Laboratory, Department of Physics & Astronomy, Ohio University & Argonne National Laboratory

    • Daniel J Trainer

      Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States, Argonne National Laboratory, Temple University

    • Sanjoy Sarkar

      Ohio University, Department of Physics & Astronomy, Ohio University

    • Shaoze Wang

      Ohio University, Ohio University & Argonne National Laboratory, Physics & Astronomy Department, Ohio University & Argonne National Laboratory

    • Tolulope Michael M Ajayi

      Ohio University, Ohio University & Argonne National Laboratory

    • Vijay R Singh

      Department of Chemical Engineering, University of Illinois at Chicago, Chicago, Illinois 60608, United States, Materials Science Division, ANL, Argonne, IL, USA, Department of Physics, University of Illinois at Chicago, Chicago, IL, 60607, Univ Illinois at Chicago & MSD, ANL, University of Illinois at Chicago, Chemical Engineering Department, University of Illinois at Chicago, Department of Chemical Engineering, University of Illinois at Chicago, Chicago, Illinois 60608, United States, Materials Science Division, Argonne National Laboratory, IL, USA

    • Kyaw Zin Latt

      Ohio University, Argonne National Laboratory, Nanoscience & Technology Division, Argonne National laboratory

    • Xinyue Cheng

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    • Anh T Ngo

      Univ of Illinois at Chicago & MSD, ANL, University of Illinois at Chicago, Univeristy of Illinois at Chicago; Argonne National Laboratory, Argonne National Laboratory, Chemical Engineering Department, University of Illinois at Chicago

    • Eric Masson

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    View abstract →

  • Two-Dimensional Metal-Organic Frameworks of Rare-Earth Molecular Systems on Surfaces

    ORAL

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    Presenters

    • Shaoze Wang

      Ohio University, Ohio University & Argonne National Laboratory, Physics & Astronomy Department, Ohio University & Argonne National Laboratory

    Authors

    • Saw W Hla

      Nanoscale and Quantum Phenomena Institute, Physics & Astronomy Department, Ohio University, Athens, Ohio 45701, United States, Center for Nanoscale Materials, ANL, IL, USA, Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States, Ohio University, Ohio University and Argonne National Laboratory, Ohio University & Argonne National Laboratory

    • Shaoze Wang

      Ohio University, Ohio University & Argonne National Laboratory, Physics & Astronomy Department, Ohio University & Argonne National Laboratory

    • Kyaw Zin Latt

      Ohio University, Argonne National Laboratory, Nanoscience & Technology Division, Argonne National laboratory

    • Tolulope Michael M Ajayi

      Ohio University, Ohio University & Argonne National Laboratory

    • Sineth Premarathna

      Ohio University, Ohio University & Argonne National Laboratory, Department of Physics & Astronomy, Ohio University & Argonne National Laboratory

    • Xinyue Cheng

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    • Daniel J Trainer

      Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States, Argonne National Laboratory, Temple University

    • Eric Masson

      Ohio University, Department of Chemistry & Biochemistry, Ohio University

    View abstract →

  • Vibrational many-body perturbation theory for molecules and solids

    ORAL

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    Publication: X. Qin and S. Hirata, The Journal of Physical Chemistry B 124, 10477-10485 (2020)<br>X. Qin and S. Hirata, Molecular Physics (published online, 2021)

    Presenters

    • xiuyi qin

      university of illinois at urbana-champaign

    Authors

    • xiuyi qin

      university of illinois at urbana-champaign

    • So Hirata

      University of Illinois at Urbana-Champaign

    View abstract →

  • On-the-fly ab initio semiclassical evaluation of electronic coherences in polyatomic molecules reveals a simple mechanism of decoherence

    ORAL

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    Publication: Phys. Rev. Lett. 125, 083001 (2020)

    Presenters

    • Jiri J Vanicek

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Nikolay Golubev

      Ecole Polytechnique Federale de Lausanne

    • Tomislav Begusic

      Ecole Polytechnique Federale de Lausanne

    • Jiri J Vanicek

      Ecole Polytechnique Federale de Lausanne

    View abstract →

  • Modeling Non-Kekulé Molecules With Quantum Corrals

    ORAL

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    Presenters

    • Anthony Francisco

      University of Notre Dame

    Authors

    • Anthony Francisco

      University of Notre Dame

    • Sushrut Ghonge

      University of Notre Dame

    • Boldizsar Janko

      University of Notre Dame

    • Morten R Eskildsen

      University of Notre Dame

    View abstract →