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Konferencja Użytkowników Komputerów Dużej Mocy - KUKDM 2024

13–15 Mar 2024
Zakopane
Europe/Warsaw timezone
Conference Proceedings available - see the section with additional materials.

Session

S2 - Contributed session

14 Mar 2024, 11:20

Presentation materials

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  1. 6. Theoretical Studies of the Propylene Oxide Opening Reaction Mechanism in the Copolymerization of CO2 with Epoxides Process Catalyzed by a Cobalt(III) Complex with Salen Ligand: Unraveling the Computational Complexity
    Olga Żurowska
    14/03/2024, 11:20

    Olga Żurowska, Artur Michalak

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  2. 7. A Study of the Properties of Unsymmetrically Substituted 4,5-dialkoxy-2-nitroanilines by Spectroscopic and Theoretical Methods
    Karina Synowiec
    14/03/2024, 11:35

    Karina Synowiec, Marek Boczar, Jarosław Grolik

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  3. 8. Investigating the Mechanical Characteristics of Al2O3 through Density Functional Theory and Molecular Dynamics
    Mostafa Fathalian
    14/03/2024, 11:50

    Mostafa Fathalian, Eligiusz Postek, Masoud Tahani, Tomasz Sadowski

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  4. 10. Multi-scale Modeling of Texture Evolution in Deformed Metals
    Bartosz Sułkowski
    14/03/2024, 12:05

    Bartosz Sułkowski

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  5. 11. Studies on the Interaction of Nanoplastics with Lipid Systems
    Franciszek Włodek
    14/03/2024, 12:20

    Franciszek Włodek, Waldemar Kulig, Jacek Korchowiec, Anna Stachowicz-Kuśnierz

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  6. 12. Theoretical Study of Copper Complexes in Artificial Photosynthesis
    Alicja Mikłas
    14/03/2024, 12:35

    Alicja Mikłas, Mateusz Z. Brela

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  7. 13. Hydrolysis as an Alternative Path of Nylon 6 and PHB Degradation: a Computational Study
    Yuliia Didovets
    14/03/2024, 12:50

    Yuliia Didovets, Mateusz Z. Brela

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  8. 14. A Detail that Matters? Rotational Isomerism in Some Ortho-substituted Benzophenones
    Andrzej J. Kałka
    14/03/2024, 13:05

    Andrzej J. Kałka, Mateusz Z. Brela, Andrzej M. Turek

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