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Иш: Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI

  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Мақола199664 иқтибос
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Мақола196544 иқтибос
    ABI

  4. First-principles calculations of the ferroelastic transition between rutile-type and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CaCl</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>-type<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>SiO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>at high pressures

    Atsushi Togo, Fumiyasu Oba, Isao Tanaka

    Мақола20088 иқтибос
    ABI

  5. Calibration of the ruby pressure gauge to 800 kbar under quasi‐hydrostatic conditions

    Ho‐kwang Mao, Jinming Xu, P. M. Bell

    Мақола19867 иқтибос
    ABI

  6. "Special points for Brillouin-zone integrations"—a reply

    J.D. Pack, Hendrik J. Monkhorst

    Мақола19776 иқтибос
    ABI

  7. <i>EXPGUI</i>, a graphical user interface for<i>GSAS</i>

    Brian H. Toby

    Мақола20015 иқтибос
    ABI

  8. <i>GSAS-II</i>: the genesis of a modern open-source all purpose crystallography software package

    Brian H. Toby, R. B. Von Dreele

    Мақола20134 иқтибос
    ABI

  9. Theory of Molecular Excitons

    A. S. Davydov, Harvey Kaplan

    Мақола19633 иқтибос
    ABI

  10. Two-dimensional detector software: From real detector to idealised image or two-theta scan

    A. P. Hammersley, Sigfrid Svensson, Michael Hanfland +2

    Мақола19962 иқтибос
    ABI

  11. Optical Spectra of Transition-Metal Ions in Corundum

    Donald S. McClure

    Мақола19622 иқтибос
    ABI

  12. Pressure calibration of diamond anvil Raman gauge to 310GPa

    Yuichi Akahama, Haruki Kawamura

    Мақола20062 иқтибос
    ABI

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