مرور Volume 1, Issue 3 بر اساس موضوع "Molecular structure"

در حال نمایش موارد 1 - 1 از 1

  • Modeling of the hydration shell of Adenine 

    Zare, K.؛ Karimi, N.؛ Savadi, R.l؛ Abedi, A.؛ Sevedsadiadi, M.A. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)
    The molecular geometry of complex of adenine with 8 water molecules was calculated with Hartree-Fock (HF). The standard 6-31G(d) basis set has been employed. The existence of C-H…O Hydrogen bonds between the water molecules ...