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45 ta ish

Ish: 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

    Maqola1996153 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199664 iqtibos
    ABI

  3. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Maqola196544 iqtibos
    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

    Maqola20088 iqtibos
    ABI

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

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

    Maqola19867 iqtibos
    ABI

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

    J.D. Pack, Hendrik J. Monkhorst

    Maqola19776 iqtibos
    ABI

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

    Brian H. Toby

    Maqola20015 iqtibos
    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

    Maqola20134 iqtibos
    ABI

  9. Theory of Molecular Excitons

    A. S. Davydov, Harvey Kaplan

    Maqola19633 iqtibos
    ABI

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

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

    Maqola19962 iqtibos
    ABI

  11. Optical Spectra of Transition-Metal Ions in Corundum

    Donald S. McClure

    Maqola19622 iqtibos
    ABI

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

    Yuichi Akahama, Haruki Kawamura

    Maqola20062 iqtibos
    ABI

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