Hasil Pencarian - Dylan Jayatilaka

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  1. 1
    An entropic mechanism of generating selective ion binding in macromolecules.

    An entropic mechanism of generating selective ion binding in macromolecules. oleh Michael Thomas, Dylan Jayatilaka, Ben Corry

    Diterbitkan 2013-01-01
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  2. 2
    Roby-Gould bond indices as a tool for understanding chemical bonding from a mathematical and quantum mechanical perspective

    Roby-Gould bond indices as a tool for understanding chemical bonding from a mathematical and quantum mechanical perspective oleh Khidhir Alhameedi, Graham S. Chandler, Dylan Jayatilaka

    Diterbitkan 2020-01-01
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  3. 3
    Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph

    Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph oleh Sean Li, Björn Bohman, Gavin R. Flematti, Dylan Jayatilaka

    Diterbitkan 2023-11-01
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  4. 4
    Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds

    Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds oleh Khidhir Alhameedi, Amir Karton, Dylan Jayatilaka, Sajesh P. Thomas

    Diterbitkan 2018-09-01
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  5. 5
    fragHAR: towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins

    fragHAR: towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins oleh Justin Bergmann, Max Davidson, Esko Oksanen, Ulf Ryde, Dylan Jayatilaka

    Diterbitkan 2020-03-01
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  6. 6
    Structural investigation of MscL gating using experimental data and coarse grained MD simulations.

    Structural investigation of MscL gating using experimental data and coarse grained MD simulations. oleh Evelyne Deplazes, Martti Louhivuori, Dylan Jayatilaka, Siewert J Marrink, Ben Corry

    Diterbitkan 2012-01-01
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  7. 7
    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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  8. 8
    Hirshfeld atom refinement

    Hirshfeld atom refinement oleh Silvia C. Capelli, Hans-Beat Bürgi, Birger Dittrich, Simon Grabowsky, Dylan Jayatilaka

    Diterbitkan 2014-09-01
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  9. 9
    On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model

    On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model oleh W. Fabiola Sanjuan-Szklarz, Magdalena Woińska, Sławomir Domagała, Paulina M. Dominiak, Simon Grabowsky, Dylan Jayatilaka, Matthias Gutmann, Krzysztof Woźniak

    Diterbitkan 2020-09-01
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  10. 10
    Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

    Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 oleh Malte Fugel, Dylan Jayatilaka, Emanuel Hupf, Jacob Overgaard, Venkatesha R. Hathwar, Piero Macchi, Michael J. Turner, Judith A. K. Howard, Oleg V. Dolomanov, Horst Puschmann, Bo B. Iversen, Hans-Beat Bürgi, Simon Grabowsky

    Diterbitkan 2018-01-01
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