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35 ta ish

Ish: Crystal structure and DFT analysis of 1-phenyl-2-((5-aryl-1,3,4-oxadiazol-2-yl)thio)ethan-1-one and 3-aryl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine derivatives

  1. A short history of<i>SHELX</i>

    George M. Sheldrick

    MaqolaOchiq kirish2007216 iqtibos
    ABI

  2. Crystal structure refinement with<i>SHELXL</i>

    George M. Sheldrick

    MaqolaOchiq kirish2014190 iqtibos
    ABI

  3. <i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4

    MaqolaOchiq kirish2021102 iqtibos
    ABI

  4. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  5. Hirshfeld surface analysis

    Mark A. Spackman, Dylan Jayatilaka

    Maqola200880 iqtibos
    ABI

  6. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    MaqolaOchiq kirish201543 iqtibos
    ABI

  7. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    MaqolaOchiq kirish198441 iqtibos
    ABI

  8. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Marcus D. Hanwell, Donald Curtis, David Lonie +3

    MaqolaOchiq kirish201237 iqtibos
    ABI

  9. Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

    Lennard Krause, Regine Herbst‐Irmer, George M. Sheldrick +1

    Maqola201432 iqtibos
    ABI

  10. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Maqola198131 iqtibos
    ABI

  11. Canonical sampling through velocity rescaling

    Giovanni Bussi, Davide Donadio, Michele Parrinello

    MaqolaOchiq kirish200728 iqtibos
    ABI

  12. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

    Florian Weigend, Reinhart Ahlrichs

    Maqola200521 iqtibos
    ABI

  13. The Protein Data Bank

    Helen M. Berman

    MaqolaOchiq kirish200020 iqtibos
    ABI

  14. gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS

    Mario S. Valdés‐Tresanco, Mario E. Valdés‐Tresanco, Pedro A. Valiente +1

    Maqola20215 iqtibos
    ABI

  15. ACPYPE - AnteChamber PYthon Parser interfacE

    Alan Sousa da Silva, Wim Vranken

    Maqola20123 iqtibos
    ABI

  16. Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[ <i>d</i> ]thiazole-2(3 <i>H</i> )-imine and its <i>para</i> -substituted derivatives: Solvent and substituent effects

    Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshamsian +2

    Maqola20203 iqtibos
    ABI

  17. Sarlavhasiz

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  18. Sarlavhasiz

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  19. Sarlavhasiz

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  20. Sarlavhasiz

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  21. Sarlavhasiz

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  22. Sarlavhasiz

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  23. Sarlavhasiz

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  24. Sarlavhasiz

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  25. Sarlavhasiz

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