Theoretical investigation of H-bond structure and dynamics in molecules of biological interest

Ashour Abd-Elaal Mahmoud Ahmed;

Abstract


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 t


Other data

Title Theoretical investigation of H-bond structure and dynamics in molecules of biological interest
Other Titles دراسة نظرية لتركيب و دينبميكية الروابط الهيدروجينية في جزيئبت ذات نشبط بيىلىجي
Authors Ashour Abd-Elaal Mahmoud Ahmed
Keywords Theoretical investigation of H-bond structure and dynamics in molecules of biological interest
Issue Date 2009
Description 
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 t

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