Wednesday, March 16, 2022
11:30AM - 11:42AM
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N02.00001: Using Ultrafast XANES and FDMNES Simulations to Examine the Photochemistry of Adenosylcobalamin
Taylor McClain
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Wednesday, March 16, 2022
11:42AM - 11:54AM
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N02.00002: Determining the X-ray absorption signatures of Ga(I) and Ga(III) in molecular complexes and crystals
Fernando D Vila, Li Li, Kyle Groden, Jean-Sabin McEwen, Simon R Bare, Susannah L Scott
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Wednesday, March 16, 2022
11:54AM - 12:06PM
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N02.00003: Single Molecule Optical Rectification Spectroscopy and Microscopy
Jiang Yao, Wilson Ho, Youngwook Park
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Wednesday, March 16, 2022
12:06PM - 12:18PM
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N02.00004: CW THz rectification spectroscopy of single molecules in STM tunneling junction
Siyu Chen, Wenlu Shi, Wilson Ho
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Wednesday, March 16, 2022
12:18PM - 12:30PM
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N02.00005: Low Temperature STM Studies of Single Rare-Earth Molecules on Surfaces
Kyaw Zin Latt, Daniel J Trainer, Tolulope M Ajayi, Vijay R Singh, Shaoze Wang, Sineth Premarathna, Xinyue Cheng, Sanjoy Sarkar, Anh T Ngo, Eric Masson, Saw Wai, Hla
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Wednesday, March 16, 2022
12:30PM - 12:42PM
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N02.00006: Chiral Rare-Earth Molecular Clusters
Saw W Hla, Sineth Premarathna, Daniel J Trainer, Sanjoy Sarkar, Shaoze Wang, Tolulope M Ajayi, Vijay R Singh, Kyaw Zin Latt, Xinyue Cheng, Anh T Ngo, Eric Masson
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Wednesday, March 16, 2022
12:42PM - 12:54PM
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N02.00007: Two-Dimensional Metal-Organic Frameworks of Rare-Earth Molecular Systems on Surfaces
Saw W Hla, Shaoze Wang, Kyaw Zin Latt, Tolulope M Ajayi, Sineth Premarathna, Xinyue Cheng, Daniel J Trainer, Eric Masson
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Wednesday, March 16, 2022
12:54PM - 1:06PM
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N02.00008: Benchmarking vibrational probe molecules: Dissecting the nitrile spectral response in isolated reporters
Sean C Edington, Mark A Johnson, Sharon Hammes-Schiffer, Ahmed Mohamed, James Breton, Maxim Secor
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Wednesday, March 16, 2022
1:06PM - 1:18PM
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N02.00009: Vibrational many-body perturbation theory for molecules and solids
xiuyi qin, So Hirata
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Wednesday, March 16, 2022
1:18PM - 1:30PM
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N02.00010: Anharmonic Vibrational Spectra of Molecular Dimers via Vibrational Perturbation Theory and Hindered Rotor Models
Johannes Hoja, A. Daniel Boese
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Wednesday, March 16, 2022
1:30PM - 1:42PM
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N02.00011: Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
Alan Scheidegger, Jiri J Vanicek, Nikolay Golubev
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Wednesday, March 16, 2022
1:42PM - 1:54PM
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N02.00012: On-the-fly ab initio semiclassical evaluation of electronic coherences in polyatomic molecules reveals a simple mechanism of decoherence
Nikolay Golubev, Tomislav Begusic, Jiri J Vanicek
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Wednesday, March 16, 2022
1:54PM - 2:06PM
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N02.00013: Theoretical spectroscopic characterization of small interstellar anions: C2N- at the focal point
Carlos M Rocha, Harold Linnartz
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Wednesday, March 16, 2022
2:06PM - 2:18PM
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N02.00014: Theoretical prospects for alkali intercalation of hexagonal boron nitride
Lev Krainov, Vincent H Crespi, Mauricio Terrones, George Bepete
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Wednesday, March 16, 2022
2:18PM - 2:30PM
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N02.00015: Modeling Non-Kekulé Molecules With Quantum Corrals
Anthony Francisco, Sushrut Ghonge, Boldizsar Janko, Morten R Eskildsen
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