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Computational Chemistry Lab Department of Chemistry, Visva-Bharati
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Completed Research Projects
1. Title: Theoretical studies of size dependent properties of II-VI semiconductor cluster
Funding Agency: University Grants Commission(UGC), New Delhi, [Ref. No.F.12-30/SR(2003)]
Duration of the Project: July, 2003- June-2006
2. Title: Theoretical studies of vibrational and ro-vibrational energy levels of triatomic molecules
Funding Agency: Dept. of Science & Technology(DST), Govt. of India, [Ref. No.SR/FTP/CSA-17/2002]
Duration of the Project: August, 2003-July, 2006
3. Title: Size-dependent properties of semiconductor nanocrystals
Funding Agency: Council of Scientific & Industrial Research(CSIR), New Delhi,
[Ref.No. 01(1908) EMR-II/2003]
Duration of the Project: April, 2004- March-2007
4. Title: Electronic structure of semiconductor quantum dots and diluted magnetic semiconductors
Funding Agency: Council of Scientific & Industrial Research(CSIR), New Delhi, [Ref.No. 01(2148)EMR-II/2007]
Duration of the Project: April, 2007- March, 2010
5. Title: Electronic structures of nanoclusters and cluster-molecule interactions
Funding Agency: BRNS, Dept. of Atomic Energy, Mumbai, [Ref. No. 2007/37/43/BRNS/2898]
Duration of the Project: April, 2008- March-2011
6. Title: Size-dependent electronic structure of nanoclusters and cluster-molecule interactions
Funding Agency: University Grants Commission (UGC), New Delhi. [Ref. No. 33-285/2007(SR)]
Duration of the Project: July, 2008- June, 2011
7. Title: Electronic structure of semiconductor nanostructures
Funding Agency: Department of Science & Technology(DST), Govt. of India under NSTI program SR/NM/NS-49/2007.
Duration of the Project: July, 2009- June, 2012
8. Title: Electronic structures of carbon-based nanohybrid materials
Funding Agency: Council of Scientific & Industrial Research (CSIR), New Delhi, Ref. No.01 (2744)EMR-II/2013.
Duration of the Project: May 2013- April-2016
9. Title: Electronic structure of functionalized semiconductor nanoparticles
Funding Agency: University Grants Commission (UGC), New Delhi. [Ref. No. 43-174/2014(SR)]
Duration of the Project: July, 2015- June, 2018
10.Title: Time domain density-functional tight-binding simulation of inorganic-organic nanohybrids - A
search for better photovoltaic devices
Funding Agency: DST (Nano Mission Project), New Delhi, Govt. of India.[Ref. No.SR/NM/NS-1005/2016(G)]
Duration of the Project: May, 2017- April, 2020
11.Title: Computational studies on the catalytic activities of (Al2O3)n nanoclusters for various organic reactions
Funding Agency: Council of Scientific & Industrial Research (CSIR), New Delhi, [Ref. No. 01(2916)/17/EMR-II ]
Duration of the Project: May, 2017-April, 2020
12. Title: Electronic structure and transport properties of inorganic-organic nanocomposites
Funding Agency: BRNS, BARC, Govt. of India.[Ref. No. 37(2)/14/07/2018-BRNS/37032]
Duration of the Project: May, 2018- April, 2021
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On-Going Research Projects
1. Title: Computational investigation of Covalent Organic Frameworks (COFs) for electrochemical energy storage applications
Funding Agency: Council of Scientific & Industrial Research (CSIR), New Delhi,[Ref. No. 01(3086)/21/EMR-II]
Duration of the Project: August, 2021 - July, 2024
2. Title: Nitrogen fixation and possible value added hydrogenated products by transition metal induced catalysis: A theoretical exploration
Funding Agency: University Grants Commission (UGC), New Delhi. [Ref. No. 19-257/2021(BSR)]
Duration of the Project: April, 2021- March, 2022
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