Computational Methods - a means for obtaining deeper insights into structure, bonding, reactivity and molecular properties. My research interests are in applications of molecular mechanics, semi-empirical and ab initio MO theories and Monte Carlo methods for studying diverse chemical problems. I like to investigate molecules of immediate experimental interest Theoretical Prediction and quantification of electronic effects: The magnitude and implications of a variety of electronic interactions like negative hyperconjugation, anomeric effect, captodative stabilization, homoconjugation, distonic radical on stabilization, through bond effects, etc. are being actively investigated using MO methods Modelling organic reactivity: Computational methods are used for precisely determining the structures and energies of intermediates and transition states for a number of organic transformations. A major interest is to understand and predict remote substituent effects on reactivity. Unusual photochemical reactivity patterns are also examined by analysing the nature of electronic excited states. Molecular Properties: Efforts are on to calculate magnetic and nonlinear optical properties of organic molecules as well as band structures of infinite systems.