Hasil Pencarian - Peter R. Spackman

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  1. 1
    A solid solution to computational challenges presented by crystal structures exhibiting disorder

    A solid solution to computational challenges presented by crystal structures exhibiting disorder oleh Peter R. Spackman

    Diterbitkan 2024-05-01
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  2. 2
    Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes oleh Peter R. Spackman, Amir Karton

    Diterbitkan 2015-05-01
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  3. 3
    A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter

    A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter oleh Peter R. Spackman, Mark A. Spackman, Julian D. Gale

    Diterbitkan 2023-11-01
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  4. 4
    CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems oleh Campbell F. Mackenzie, Peter R. Spackman, Dylan Jayatilaka, Mark A. Spackman

    Diterbitkan 2017-09-01
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