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Information Seminar Paper

Title

STRUCTURE PREDICTION AND THE STUDY OF SPECTROSCOPIC PROPERTIES OF NEW COMPLEXES ZN (II) WITH PHENANTHROLINE, ON THE BASIS OF QUANTUM MECHANICAL CALCULATIONS AB INITIO

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Abstract

 IN THIS STUDY, DENSITY FUNCTIONAL THEORY CALCULATIONS ON A THEORETICAL LEVEL B3LYP / 6-311 + G * ON THE STRUCTURE AND PROPERTIES OF PHENANTHROLINE, AND DICHLOROISOCYANURATEPHENANTHROLINE SPECTROSCOPY ZN (II) WAS CONDUCTED. FOR ALL THE CALCULATED FREQUENCY VIBRATIONS AND MODIFIED SHIFTS RED OR BLUE IN THE IR SPECTRUM FOR THE LIGAND ONLY AND ENDOGENOUS LIGAND COMPLEX WAS ANALYZED. SIMILAR STUDIES IN THE 1H-NMR AND 13C -NMR SPECTRUM WERE PERFORMED. ...

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