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Committee neural network potentials control generalization errors and enable active learning
C Schran, K Brezina, O Marsalek
The Journal of Chemical Physics 153 (10), 2020
1522020
Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal
T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ...
Science 368 (6495), 1086-1091, 2020
632020
Valence and core-level X-ray photoelectron spectroscopy of a liquid ammonia microjet
T Buttersack, PE Mason, RS McMullen, T Martinek, K Brezina, D Hein, ...
Journal of the American Chemical Society 141 (5), 1838-1841, 2019
362019
Can arginine inhibit insulin aggregation? A combined protein crystallography, capillary electrophoresis, and molecular simulation study
K Březina, E Duboué-Dijon, V Palivec, J Jiráček, T Křížek, CM Viola, ...
The Journal of Physical Chemistry B 122 (44), 10069-10076, 2018
342018
Reducing the cost of neural network potential generation for reactive molecular systems
K Brezina, H Beck, O Marsalek
Journal of Chemical Theory and Computation 19 (19), 6589-6604, 2023
142023
Benzene radical anion in the context of the Birch reduction: when solvation is the key
K Brezina, P Jungwirth, O Marsalek
The Journal of Physical Chemistry Letters 11 (15), 6032-6038, 2020
142020
Photoelectron spectroscopy of benzene in the liquid phase and dissolved in liquid ammonia
HC Schewe, K Brezina, V Kostal, PE Mason, T Buttersack, DM Stemer, ...
The Journal of Physical Chemistry B 126 (1), 229-238, 2021
122021
Electronic Structure of the Solvated Benzene Radical Anion
K Brezina, V Kostal, P Jungwirth, O Marsalek
The Journal of Chemical Physics 156 (1), 014501, 2021
82021
Benzene radical anion microsolvated in ammonia clusters: Modeling the transition from an unbound resonance to a bound species
V Kostal, K Brezina, O Marsalek, P Jungwirth
The Journal of Physical Chemistry A 125 (26), 5811-5818, 2021
72021
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction
T Nemirovich, B Young, K Brezina, PE Mason, R Seidel, D Stemer, ...
Journal of the American Chemical Society 146 (12), 8043-8057, 2024
22024
Elucidating the Nature of -hydrogen Bonding in Liquid Water and Ammonia
K Brezina, H Beck, O Marsalek
arXiv preprint arXiv:2403.12937, 2024
12024
Electrons in Liquid Ammonia and Water–from blue electrolytes to golden metallic solutions
HC Schewe, PE Mason, T Buttersack, V Kostal, M Vitek, T Martinek, ...
BOOK OF ABSTRACTS, 69, 2023
2023
Photoelectron spectra of alkali metal-ammonia microjets
T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ...
(No Title), 2020
2020
Posts tagged with: Photoelectron Spectroscopy Tag: Photoelectron Spectroscopy
T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ...
Research of Alkali Metal-Ammonia Microjets Published in Journal Science
T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ...
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