Theory and Experiment for Complex Systems in Gas Phase (A)

Presentations

• Theory meets experiment in gas-phase spectroscopy: the VMS bridge

  Invited

  March 4, 2019, 2:30 PM – March 4, 2019, 3:06 PM

  Presenters

  • Vincenzo Barone

    • Scuola Normale Superiore

  Authors

  • Vincenzo Barone

    • Scuola Normale Superiore

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• Broadband Rotational Spectroscopy of Odorants and their Complexes: Experiment and Theory in Concert

  Invited

  March 4, 2019, 3:06 PM – March 4, 2019, 3:42 PM

  Presenters

  • Maria Eugenia Sanz

    • Chemistry, King's College London

  Authors

  • Maria Eugenia Sanz

    • Chemistry, King's College London

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• Exploring conformational landscapes of chiral molecules in their solvation and self-aggregation clusters

  Invited

  March 4, 2019, 3:42 PM – March 4, 2019, 4:18 PM

  Presenters

  • Yunjie Xu

    • University of Alberta

  Authors

  • Yunjie Xu

    • University of Alberta

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• Conformational Preferences of Gas Phase Peptides and Synthetic Foldamers: Challenges to Theory and Experiment

  ORAL

  March 4, 2019, 4:18 PM – March 4, 2019, 4:30 PM

  Presenters

  • Timothy Zwier

    • Purdue University

  Authors

  • Timothy Zwier

    • Purdue University

  • Karl N Blodgett

    • Purdue University

  • Christopher P Harrilal

    • Purdue University

  • Joshua L Fischer

    • Purdue University

  • John T Lawler

    • Purdue University

  • Dewei Sun

    • Purdue University

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• Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene

  ORAL

  March 4, 2019, 4:30 PM – March 4, 2019, 4:42 PM

  Presenters

  • Yair Litman

    • Theory, Fritz Haber Institute of the Max Planck Society

  Authors

  • Yair Litman

    • Theory, Fritz Haber Institute of the Max Planck Society

  • Jeremy Oscar Richardson

    • Physical Chemistry, ETH Zurich

  • Takashi Kumagai

    • Physical Chemistry, Fritz Haber Institute of the Max Planck Society

  • Mariana Rossi

    • Fritz-Haber Institute
    • Theory Department, Fritz Haber Institute of the Max Planck Society
    • Theory, Fritz Haber Institute of the Max Planck Society

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• A Stochastic Non-empirical approach in the problem of the reaction path seeking

  ORAL

  March 4, 2019, 4:42 PM – March 4, 2019, 4:54 PM

  Presenters

  • Iurii Nagornov

    • Department of Physics, University of Tokyo

  Authors

  • Iurii Nagornov

    • Department of Physics, University of Tokyo

  • Ryosuke Akashi

    • Department of Physics, University of Tokyo
    • University of Tokyo

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• N-Body networks for molecular simulation

  ORAL

  March 4, 2019, 4:54 PM – March 4, 2019, 5:06 PM

  Presenters

  • Brandon Anderson

    • Computer Science, University of Chicago

  Authors

  • Brandon Anderson

    • Computer Science, University of Chicago

  • Risi Kondor

    • Computer Science, University of Chicago

  • Truong Son Hy

    • Computer Science, University of Chicago

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