Kıyak, Güven.
(Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2011., 2011.)
In this work, structures and energetics of (C3H6N6O6)2 and [(C3H6N6O6)2]+ molecules have been investigated via computational chemistry methods. Using Density Functional Theory, the neutral and positively charged dimer ...