Kinetics and Dynamics
ORAL · MAR-G67 · ID: 3088056
Presentations
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Key Factors in H<sub>3</sub><sup>+</sup> Formation from Organic Molecules: Experiments and Theory
ORAL
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Publication: H+3 Formation from Methyl Halogens and Pseudohalogens: Experiment, Theory, and Governing Factors<br>Being reviewed for Nature Communications.
Presenters
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Sung Kwon
Michigan State University
Authors
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Marcos Dantus
Michigan State University
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Jacob Stamm
Michigan State University
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Swati Priyadarsini
Michigan State University
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Shawn Sandhu
Michigan State University
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Arnab Chakraborty
Michigan State University
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Jun Shen
Michigan State University
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Sung Kwon
Michigan State University
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Jesse Sandhu
Michigan State University
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Clayton Wicka
Michigan State University
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Arshad Mehmood
Stony Brook University
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Benjamin G Levine
Stony Brook University (SUNY)
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Piotr Piecuch
Michigan State University
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Real-Space Observation of Quantum Tunneling Induced Single-Molecule Conformational Transitions between Two Levels in a Double-Well Potential
ORAL
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Publication: [1] P. S. Zuev, R. S. Sheridan, T. V. Albu, D. G. Truhlar, D. A. Hrovat, and W. T. Borden, Carbon Tunneling from a Single Quantum State, Science 299, 867 (2003).<br>[2] Z. D. Nagel and J. P. Klinman, Tunneling and Dynamics in Enzymatic Hydride Transfer, Chem. Rev. 106, 3095 (2006).<br>[3] P. Esquinazi, Tunneling Systems in Amorphous and Crystalline Solids (Springer Berlin Heidelberg, Berlin, Heidelberg s.l, 1998).<br>[4] T. Kumagai, M. Kaizu, H. Okuyama, S. Hatta, T. Aruga, I. Hamada, and Y. Morikawa, Tunneling dynamics of a hydroxyl group adsorbed on Cu(110), Phys. Rev. B 79, 035423 (2009).<br>[5] L. J. Lauhon and W. Ho, Direct Observation of the Quantum Tunneling of Single Hydrogen Atoms with a Scanning Tunneling Microscope, Phys. Rev. Lett. 85, 4566 (2000)
Presenters
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Jiawei Zeng
Univerisity of California, Irvine, University of California, Irvine
Authors
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Jiawei Zeng
Univerisity of California, Irvine, University of California, Irvine
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Wenlu Shi
University of California, Irvine
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Wilson Ho
University of California, Irvine
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Oral: Revealing the Spin-Orbit Coupling in Thermally Assisted Delayed Fluorescence of Carbene-Metal-Amides
ORAL
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Publication: 1) Nattikallungal.T.A; Braforth. S.E; Thompson, M.E; Revealing the Spin-Orbit Coupling in Thermally Assisted Delayed Fluorescence of Carbene-Metal-Amides. In preparation. 2024
Presenters
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THABASSUM AHAMMAD NATTIKALLUNGAL
University of Southern California
Authors
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THABASSUM AHAMMAD NATTIKALLUNGAL
University of Southern California
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Modeling Thermocatalytic Systems for CO<sub>2</sub> Hydrogenation to Methanol
ORAL
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Presenters
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Jianzhong Wu
University of California, Riverside
Authors
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Jianzhong Wu
University of California, Riverside
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Jikai Sun
University of California, Riverside
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Modeling Core-Ionization with Auxiliary-Field Quantum Monte Carlo
ORAL
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Presenters
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Leonardo dos Anjos Cunha
Simons Foundation (Flatiron Institute)
Authors
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Leonardo dos Anjos Cunha
Simons Foundation (Flatiron Institute)
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Shiwei Zhang
Simons Foundation (Flatiron Institute), Simons Foundation
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Understanding the role of charge transfer states in singlet fission in Perylenediimide Crystals
ORAL
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Publication: (1) Volek, T. S.; Verkamp, M. A.; Ruiz, G. N.; Staat, A. J.; Li, B. C.; Rose, M. J.; Eaves, J. D.; Roberts, S. T. Slowed Singlet Exciton Fission Enhances Triplet Exciton Transport in Select Perylenediimide Crystals. Journal of the American Chemical Society 2024<br>(2) Chang, X.; Balooch Qarai, M.; Spano, F. C. Absorption and Photoluminescence in π-Stacks of Donor–Acceptor–Donor Chromophores: Effective Frenkel–Holstein Hamiltonian Approach. Chemistry of Materials 2023, 35 (23), 10018-10029
Presenters
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Xin Chang
University of Texas at Austin
Authors
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Xin Chang
University of Texas at Austin
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Wennie Wang
University of Texas at Austin
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Oral: Density Functional Tight Binding Simulation of MgO and Mg(OH)<sub>2</sub> Hydration and Carbonation Process
ORAL
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Publication: Planned paper: Tight Binding Simulation of MgO and Mg(OH)2 Hydration and Carbonation Process
Presenters
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Jiwen Yu
Imperial College London
Authors
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Jiwen Yu
Imperial College London
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Andrew Horsfield
Imperial College London
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In-Situ X-ray Spectroscopy study of Cobalt Oxide Amorphous Catalysts
ORAL
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Presenters
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Jung Ho Kim
X-ray Science Division, Argonne National Laboratory, USA., ARGONNE NATIONAL LAB, Argonne National Laboratory
Authors
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Jung Ho Kim
X-ray Science Division, Argonne National Laboratory, USA., ARGONNE NATIONAL LAB, Argonne National Laboratory
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Leveraging new-age x-ray lasers for atomistic insight into ultrafast dynamics
ORAL
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Publication: Not applicable
Presenters
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Gourab Chatterjee
SLAC National Accelerator Laboratory
Authors
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Gourab Chatterjee
SLAC National Accelerator Laboratory
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Abstract Withdrawn
ORAL Withdrawn
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