Friday, March 19, 2021
8:00AM - 8:12AM
Live
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X25.00001: DIrectly Determined Pair-Natural Orbitals and their implications on Quantum Algorithms for Chemistry
Jakob Kottmann, Philipp Schleich, Teresa Tamayo-Mendoza, Alan Aspuru-Guzik
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Friday, March 19, 2021
8:12AM - 8:24AM
Live
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X25.00002: Probing the Impact of Nucleobase Modifications on DNA Dehybridization with Temperature-Jump Infrared Spectroscopy
Brennan Ashwood, Paul J. Sanstead, Qing Dai, Chuan He, Andrei Tokmakoff
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Friday, March 19, 2021
8:24AM - 8:36AM
Live
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X25.00003: Delta-coupled-cluster methods for accurate calculations of core ionization energies
Xuechen Zheng, Junzi Liu, Lan Cheng
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Friday, March 19, 2021
8:36AM - 8:48AM
Live
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X25.00004: On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature [1]
Tomislav Begusic, Jiri Vanicek
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Friday, March 19, 2021
8:48AM - 9:00AM
Live
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X25.00005: Broadband UV/VIS cavity-enhanced ultrafast spectroscopy
Myles Silfies, Grzegorz Kowzan, Neomi Ashwita Lewis, Thomas K Allison
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Friday, March 19, 2021
9:00AM - 9:12AM
Live
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X25.00006: Ultrafast Dynamics of Atmospheric Molecules Observed with Femtosecond Pump-Probe Spectroscopy
Jacob M Garcia, Shaun Sutton, Dane Miller, Lenin Quiroz, Tarakeshwar Pilarisetty, Scott Sayres
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Friday, March 19, 2021
9:12AM - 9:24AM
Live
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X25.00007: The Anomeric Effect in Five-Membered Ring Molecules. Comparison of Theoretical Computations and Experimental Spectroscopic Results
Jaan Laane, Esther Ocola
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Friday, March 19, 2021
9:24AM - 9:36AM
Live
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X25.00008: Modeling Amide-I Vibrational Circular Dichroism of Peptides
Hanbo Hong, Jacqueline Leon, Yue Yu, Liang Shi
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Friday, March 19, 2021
9:36AM - 9:48AM
Live
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X25.00009: Photoluminescence of Sulfur-Doped Dysprosium Oxide
Sadie Nickles, Mark S Boley, Brian Bellott
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Friday, March 19, 2021
9:48AM - 10:00AM
Live
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X25.00010: Using Ultrafast XANES and FDMNES Simulations To Examine The Photochemistry Of Adenosylcobalamin
Taylor McClain
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Friday, March 19, 2021
10:00AM - 10:12AM
Live
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X25.00011: A new generation of effective core potentials from spin-orbit and correlated calculations: selected heavy elements
Guangming Wang, Abdulgani Annaberdiyev, Lubos Mitas
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Friday, March 19, 2021
10:12AM - 10:24AM
Live
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X25.00012: On the forbidden wave numbers in the out-of-plane optical phonon (ZO) branch in carbon fullerenes
Jesús N. Pedroza-Montero, Ignacio L. Garzón, Huziel Sauceda
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Friday, March 19, 2021
10:24AM - 10:36AM
Live
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X25.00013: Revealing the machinery of homogeneous catalysis by NiI cyclam: characterization of ligand-dependent activation of N2 and CO2 with variable temperature ion chemistry and vibrational spectroscopy
Sean Coleman Edington, Evan Perez, David Charboneau, Fabian S Menges, Nilay Hazari, Mark Albert Johnson
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Friday, March 19, 2021
10:36AM - 10:48AM
Live
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X25.00014: Calculation of rovibrational energy levels of Neon, Krypton, and Xenon dimers in momentum space
Mohammadreza Hadizadeh, Shantinique Miller, Rohan Swami
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Friday, March 19, 2021
10:48AM - 11:00AM
Not Participating
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X25.00015: Femtosecond Photoelectron Spectroscopy of the Dynamics of Electron Attachment and Photodissociation in Iodide-Nucleobase Clusters
Alice Kunin
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