Browsing Stony Brook Theses & Dissertations [SBU] by Subject "ab initio, Density Functional Theory, DFT, first principles, Na2O, Sodium Oxide"

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    • Density Functional Calculations of Physical Properties of Sodium Oxide 

      Thompson, Meagan Leigh (The Graduate School, Stony Brook University: Stony Brook, NY., 1-Dec-11)
      Sodium is the sixth most abundant crustal element; as such, it is found throughout a variety of mineral systems where it is typically represented as an oxide (Na<sub>2</sub>O). However, due to high reactivity, neither Na ...