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  1. 1
    The structure of DNA fragments: Quantum-chemical modelling

    The structure of DNA fragments: Quantum-chemical modelling by Leonid Gorb, Oleg V. Shishkin, Tetiana Zubatiuk

    Published 2023-01-01
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  2. 2
    Structure and redox properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) adsorbed on a silica surface. M05 computational study

    Structure and redox properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) adsorbed on a silica surface. M05 computational study by Liudmyla K. Sviatenko, Leonid Gorb, Sergiy I. Okovytyy

    Published 2016-03-01
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  3. 3
    Structure and redox properties of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) adsorbed on a silica surface. A DFT M05 computational study

    Structure and redox properties of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) adsorbed on a silica surface. A DFT M05 c... by Liudmyla K. Sviatenko, Leonid Gorb, Sergiy Okovytyy, Jerzy Leszczynski

    Published 2017-11-01
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  4. 4
    Radical decomposition of 2,4-dinitrotoluene (DNT) at conditions of advanced oxidation. Computational study

    Radical decomposition of 2,4-dinitrotoluene (DNT) at conditions of advanced oxidation. Computational study by Liudmyla K. Sviatenko, Leonid Gorb, Sergiy I. Okovytyy, Jerzy Leszczynski

    Published 2016-12-01
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  5. 5
    Theoretical study on alkaline hydrolysis of trinitrotoluene: later steps

    Theoretical study on alkaline hydrolysis of trinitrotoluene: later steps by Liudmyla K. Sviatenko, Sergiy I. Okovytyy, Leonid Gorb, Jerzy Leszczynski

    Published 2015-10-01
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  6. 6
    Two-electron reduction of nitroaromatic compounds by flavin mononucleotide. DFT computational study

    Two-electron reduction of nitroaromatic compounds by flavin mononucleotide. DFT computational study by Liudmyla K. Sviatenko, Leonid Gorb, Sergiy I. Okovytyy, Jerzy Leszczynski

    Published 2016-08-01
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  7. 7
    Environmental impact of PFAS: Filling data gaps using theoretical quantum chemistry and QSPR modeling

    Environmental impact of PFAS: Filling data gaps using theoretical quantum chemistry and QSPR modeling by Michalina Mudlaff, Anita Sosnowska, Leonid Gorb, Natalia Bulawska, Karolina Jagiello, Tomasz Puzyn

    Published 2024-03-01
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  8. 8
    Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research

    Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research by Patricia Honea, Jerzy Leszczynski, Leonid Gorb, Lyssa Taylor, Brett Moore, Mohammad M. Qasim

    Published 2007-12-01
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  9. 9
    Understanding the Formation of Complex Phases: The Case of FeSi<sub>2</sub>

    Understanding the Formation of Complex Phases: The Case of FeSi<sub>2</sub> by Patrice E. A. Turchi, Volodymyr I. Ivashchenko, V. I. Shevchenko, Leonid Gorb, Jerzy Leszczynski, Aurélien Perron

    Published 2023-11-01
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