00000nam a2200000 a 4500 20251203115455.0 540 SAR Saravanan D Narahari Sastry G A Density Functional Theory Study on the Valence Isomers of Disilabenzene Pondicherry University Dept.of Chemistry,Pondicherry University. Chemistry Density Functional Theory Study on the Valence Isomers of Disilabenzene M.Phil Lecturer,Dept.of Chemistry ENG _ Computational chemistry has become an indispensable tool in the contemporary chemistry research.The present thesis report the results of systematic investigations of all the valence isomers of disilabenzene.The enhanced interest in the silaaromatic compounds with the recent discovery of bulky group substituted silaaromatics has opened a new chapter in the chemistry of silaaromatics.The rearrangement reactions among the various valence isomeric forms are one of the most intriguing aspect of this class of compounds.Thus computational results are expected to provide solid foundations in understanding the potential energy landscape of disilabenzenes.The thesis is divided in to three chapters.Chapter 1 gives the introduction followed by a brief account of computational methodology employed and a cursory introduction to density functional theory in chapter 2.The third chapter gives the resultsand a discussion of these results followed by summary.References are placed in the Chapter 4. T2152 R 212813 212813 0 0 0 1 PU PU 2002-06-04 0 540 SAR T2152 R