الفهرس 
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Abstract
Geometries, tautomerization reaction and spectroscopic properties of free ligand and its
interaction with different metal.
The thesis divided into three chapters:
Chapter 1: includes a general survey on the previous studies on the biological importance
of these complexes, tautomeric equilibria and spectroscopic properties of nucleic acid
bases and its interaction with metal ions using quantum chemical methods. Chapter 2: gives a brief description of the computational methods in quantum chemistry used on the calculations. These methods are ZORA and B3L yP with extended basis sets. Chapter 3: this chapter concerned with the results obtained and their discussions. This chapter is mainly divided into 4 sections, the first one concerning the study geometry parameters of the tautomeric forms of I-methyl thymine, I-methyl cytosine and 6-arnino
.