EXPLORE THE UNIVERSITY OF OXFORD'S WORLD-CLASS RESEARCH

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1
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Advanced capabilities for materials modelling with Quantum ESPRESSO

  • Giannozzi, P, Andreussi, O, Brumme, T, et al.
  • 2017-10-24
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2
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First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view.

  • Bonhomme, C, Gervais, C, Babonneau, F, et al.
  • 2012-11-01
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