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Research

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Research

Theoretical and Computational Chemistry
 

            Title of Projects

   Role

FundingAgency

   Duration

    Status

 1.A computational investigation on the reaction paths and spectroscopic properties of crown ethers Principal   Investigator     BRNS2019-22
 Ongoing 

2.Spectroscopic properties of some low-lying electronic states of alkali metal-rare gas and alkaline earth metal-rare gas molecules

Principal   Investigator

 

 

 

DST

 

 

 

2010-2013

 

 

 

Completed

3. Spectroscopic                               investigation of the properties of low-lying electronic states of some chemopreventive retinyl nitrones and comparison of their light-induced properties with retinyl iminium ions

Principal   Investigator

 
 
CSIR

 

 

 



2012-2015       


Completed

4. Photophysical studies of some selected DNA damage reactions

Co-PI

(PI Prof. Sujit Kumar Ghosh, VNIT, Nagpur)
 

        CSIR

2012-2015

Completed

 
Ph.D Thesis guided (as Supervisor):
 
Dr. Praveen Saini (Completed, Year of Degree 2017)
 
Title of Thesis: A Computational Investigation of Oxaziridine Photoconversion and E-Z Isomerization Processes of Some Acyclic Nitrone Systems
 
Dr. Sindhuja Sen  (Completed, Year of Degree 2021)
 
Broad Field of work 
Quantum Chemistry, Spectroscopy
 
Current Research Interest 

● Computational Organic Photochemistry

 Analysis of Non-radiative decay channels, excited state, conical intersection, transition states

 Types of systems of interest:  Nitrones, Non-polar polyenes, polar iminium ions etc.

UV-Vis and fluorescence spectra analysis of different organic and inorganic compounds & Solvent effects (in collaboration with experimental chemists)

Analysis of electronic states of Van der Waals molecules 

Types of systems of interest:   Alkali metal-Rare gas molecules

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