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Computation of spectral parameters of Lanthanides play a vital role in the modern era of chemistry because of its applications in biochemical research. Due to the biological activities of amino acid and the various co-ordination numbers of Lanthanides, computation of spectral parameters of Lanthanide - amino acid interaction, opens a significant role in the modern chemistry. First chapter is general features of Lanthanides and its scope in biological and clinical fields.Second chapter elaborates the theoretical spectral properties - both magnetic and optical. Third, fourth, fifth and sixth chapters describe the detailed study of the interaction of Lanthanides with amino acids. Numbers of tables of computed spectral parameters and the related figures are embodied for the analysis of the mode of binding of Pr (III) and Nd (III) with amino acids and the possible structure of the complexes theoretically. The book will help immensely for the academic researchers.