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Can We Predict the Pressure Induced Phase Transition of Urea? Application of Quantum Molecular Dynamics

Anna Mazurek1, Łukasz Szeleszczuk1, Dariusz Maciej Pisklak1

  • 1Faculty of Pharmacy, Medical University of Warsaw, Chair and Department of Physical Pharmacy and Bioanalysis, Department of Physical Chemistry, Banacha 1 str., 02-093 Warsaw, Poland.

Molecules (Basel, Switzerland)
|April 3, 2020
PubMed

Keywords:
CASTEPDFTNPTperiodic calculationsphase transitionquantum molecular dynamicsurea

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