Broad area of Research
Theoretical and Computational Chemistry - Modeling Reaction Intermediates and Transition States – Reactions in Solution and Catalysis – Biocatalysis - Excited State calculations - Designing Molecules for Materials and Biomaterials - Quantum Chemistry of Weak Interactions – Computational Bioinorganic and Oraganometallic chemistry - Computational Chemical Graph Theory - Artificial Intelligence
Research Projects
Title of the Project: "Tuning Reactivity and Selectivity of Palladium Catalyzed C-C Coupling Reactions"
Funding Agency: CSIR Emeritus Scheme
Duration: 2014-2018
Amount in lakhs: 18.0
Title of the Project: "Designing Biofuel cells for future: The role and importance of [NiFeSe] Hases"
Funding Agency: DST (SERB) Major Research Project
Duration: 2013 – 2016
Amount in lakhs: 26.86
Title of the Project: "Modelling tandem reactions involving cycloaddition, extrusion, electrocyclic ring-opening and closure and sigmatropic rearrangements"
Funding Agency: UGC - Major Research Project
Duration: 2008-2011
Amount in lakhs: 6.88
Title of the Project: "Bent metallocenes: Modeling their structure and catalytic activity in organic transformations"
Funding Agency: CSIR - Major Research Project
Duration: 2008-2011
Amount in lakhs: 11.75
Title of the Project: "Modeling structure and reactivity of nanomaterials: buck, bowls and balls"
Funding Agency: UGC - Major Research Project
Duration: 2002-2005
Amount in lakhs: 4.08
Title of the Project: "Modeling reaction intermediates and transition states: Polar cycloadditions"
Funding Agency: CSIR - Major Research Project
Duration: 2001-2004
Amount in lakhs: 4.42
Title of the Project: "Theoretical investigations of mechanisms of cycloaddition reactions involving cumene as addends"
Funding Agency: CSIR - Major Research Project
Duration: 1997-1999
Amount in lakhs: 4.50
Title of the Project: "Spectroscopic and theoretical investigations on the electronic structures and conformations of some selected organic systems"
Funding Agency: UGC - Major Research Project
Duration: 1991-1994
Amount in lakhs: 1.75
Funding Agency: CSIR Emeritus Scheme
Duration: 2014-2018
Amount in lakhs: 18.0
Title of the Project: "Designing Biofuel cells for future: The role and importance of [NiFeSe] Hases"
Funding Agency: DST (SERB) Major Research Project
Duration: 2013 – 2016
Amount in lakhs: 26.86
Title of the Project: "Modelling tandem reactions involving cycloaddition, extrusion, electrocyclic ring-opening and closure and sigmatropic rearrangements"
Funding Agency: UGC - Major Research Project
Duration: 2008-2011
Amount in lakhs: 6.88
Title of the Project: "Bent metallocenes: Modeling their structure and catalytic activity in organic transformations"
Funding Agency: CSIR - Major Research Project
Duration: 2008-2011
Amount in lakhs: 11.75
Title of the Project: "Modeling structure and reactivity of nanomaterials: buck, bowls and balls"
Funding Agency: UGC - Major Research Project
Duration: 2002-2005
Amount in lakhs: 4.08
Title of the Project: "Modeling reaction intermediates and transition states: Polar cycloadditions"
Funding Agency: CSIR - Major Research Project
Duration: 2001-2004
Amount in lakhs: 4.42
Title of the Project: "Theoretical investigations of mechanisms of cycloaddition reactions involving cumene as addends"
Funding Agency: CSIR - Major Research Project
Duration: 1997-1999
Amount in lakhs: 4.50
Title of the Project: "Spectroscopic and theoretical investigations on the electronic structures and conformations of some selected organic systems"
Funding Agency: UGC - Major Research Project
Duration: 1991-1994
Amount in lakhs: 1.75