TY - BOOK AU - Ashour Abdelaal Mahmoud Ahmed AU - Mohamed Fathy Shibl , AU - Rifaat Hassan Hilal , TI - Theoretical investigation of H-bond struture and dynamics in molecules of biological interest / PY - 2009/// CY - Cairo : PB - Ashour Abdelaal Mahmoud Ahmed , KW - DHTA KW - HF KW - SDHTA N1 - Thesis (M.Sc.) - Cairo University - Faculty of Science - Department of Phyical Chemistry; Issued also as CD N2 - This thesis is discussing two important research points. First the equilibrium geometry of sodium dihydrogen triacetate and its anion is calculated quantum mechanically. Second the geometric hydrogen \ deuterium (H\D) isotope effect and cooperativity in the hydrogen bonds of sodium dihyrogen tri acetate (SHTA) are discussed UR - http://172.23.153.220/th.pdf ER -