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Gamow–Teller transitions of neutron-rich N = 82,81 nuclei by shell-model calculations
Shimizu, Noritaka, Togashi, Tomoaki, Utsuno, Yutaka
Published in Progress of theoretical and experimental physics (01.03.2021)
Published in Progress of theoretical and experimental physics (01.03.2021)
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Hydrogen evolution reaction in the hBNC/Janus MoSSe heterojunction: First-principles calculations
Tian, Lei, He, Chengyu, Peng, Min, Li, Xianrui
Published in International journal of hydrogen energy (22.03.2024)
Published in International journal of hydrogen energy (22.03.2024)
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Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations
Pietruschka, Dennis S, Kumari, Bharti, Buntkowsky, Gerd, Gutmann, Torsten, Mollenhauer, Doreen
Published in Inorganic chemistry (03.05.2021)
Published in Inorganic chemistry (03.05.2021)
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Quelling the Geometry Factor Effect in Quantum Chemical Calculations of 13C NMR Chemical Shifts with the Aid of the pecG-n (n = 1, 2) Basis Sets
Rusakov, Yuriy Yu, Semenov, Valentin A., Rusakova, Irina L.
Published in International journal of molecular sciences (01.10.2024)
Published in International journal of molecular sciences (01.10.2024)
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Anti-Butterfly Effect in Ribavirin Studied by Combined Experiment (PXRD/1H-14N NQR Cross-Relaxation Spectroscopy), Quantum Chemical Calculations, Molecular Docking, Molecular Dynamics Simulations, and Novel Structure-Binding Strength and Quadrupolar Indices
Latosińska, Jolanta Natalia, Latosińska, Magdalena, Seliger, Janez, Žagar, Veselko, Apih, Tomaž
Published in Molecules (Basel, Switzerland) (27.02.2025)
Published in Molecules (Basel, Switzerland) (27.02.2025)
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Interplay of para- and diatropic ring currents [(anti)aromaticity] of macrocyclic rings subject to conformational influences, further annelation and hydrogenation of aromatic ring moieties
Kleinpeter, Erich, Koch, Andreas, Schulz, Stefanie, Wacker, Philipp
Published in Tetrahedron (02.12.2014)
Published in Tetrahedron (02.12.2014)
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FDMX: extended X-ray absorption fine structure calculations using the finite difference method
Bourke, Jay D., Chantler, Christopher T., Joly, Yves
Published in Journal of synchrotron radiation (01.03.2016)
Published in Journal of synchrotron radiation (01.03.2016)
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Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations
Valla, Maxence, Rossini, Aaron J, Caillot, Maxime, Chizallet, Céline, Raybaud, Pascal, Digne, Mathieu, Chaumonnot, Alexandra, Lesage, Anne, Emsley, Lyndon, van Bokhoven, Jeroen A, Copéret, Christophe
Published in Journal of the American Chemical Society (26.08.2015)
Published in Journal of the American Chemical Society (26.08.2015)
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Intraocular Lens Calculations
Aramberri, Jaime, Hoffer, Kenneth J, Olsen, Thomas, Savini, Giacomo, Shammas, H. John
Year of Publication 2024
Year of Publication 2024
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The Role of the Medial Prefrontal Cortex in Spatial Margin of Safety Calculations
Qi, Song, Cross, Logan, Wise, Toby, Sui, Xin, O’Doherty, John, Mobbs, Dean
Published in The Journal of neuroscience (21.08.2024)
Published in The Journal of neuroscience (21.08.2024)
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Glucocorticoids dosing in obese subjects: A systematic review
Delaleu, Jérémie, Destere, Alexandre, Hachon, Lorry, Declèves, Xavier, Lloret-Linares, Célia
Published in Therapie (01.09.2019)
Published in Therapie (01.09.2019)
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Manuscripts and Performances in Religions, Arts, and Sciences
Brita, Antonella, Karolewski, Janina, Husson, Matthieu, Miolo, Laure, Wimmer, Hanna
Year of Publication 2024
Year of Publication 2024
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