1800 102 5661 i[email protected]
Name Dr. Navjot Kaur
Designation Assistant Professor
Qualification M.Sc (hons) Chemistry, M.Tech (Polymer Science), GATE, CSIR-NET, Ph.D
Total Years of Work Experience 5.5 Years
Total Teaching Experience 5.5 Years
Email ID [email protected]
Teching Interests Thermodynamics, Kinetics, Quantum Chemistry, Spectroscopy
Research Interests Computational Chemistry, Metal Oxide Clusters, Reaction Dynamics
Achievements and Awards
Recent Publications

1. Riyaz, M., Garg, S., Kaur, N. and Goel, N. Boron Doped Graphene as Anode Material for Mg Ion Battery: A DFT Study. Comput. Theor. Chem. 2022, 1214, 113757. DOI: 10.1016/j.comptc.2022.113757.

2) Kumar, R.; Kaur, N.; Kaur, R.; Kaur, N.; Sahoo, S.C.; Nanda, P.K. Temperature Controlled Synthesis and Transformation of Dinuclear to Hexanuclear Zinc Complexes of a Benzothiazole Based Ligand: Coordination Induced Fluorescence Enhancement and Quenching, J. Mol. Struct. 2022, 133300. DOI: 10.1016/j.molstruc.2022.133300.

3) Kaur, N.; Goel, N.; Springborg, M.; Molayem, M. Kinetics and Thermodynamics of CO Oxidation by (TiO2)6. Molecules, 2021, 6415. DOI: 10.3390/molecules26216415.

4) Garg, S.; Kaur, N.; Goel, N. Conceptual DFT and TDDFT study on electronic structure and reactivity of pure and sulphur doped (CrO3)n (n = 1-10) clusters. J. Mol.Graph. Model. 2020,107617. DOI: 10.1016/j.jmgm.2020.107617.

5) Kaur, N.; Gupta, S.; Goel, N. Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach. J. Mol. Model. 2019, 25, 319. DOI: 10.1007/s00894-019-4168-3.

6) Kaur, N.; Komal.; Gupta, S.; Singhal, S.; Goel, N. Time-dependent DFT and experimental study on visible light photocatalysis by metal oxides of Ti, V and Zn after complexing with a conjugated polymer, New J. Chem., 2019, 43, 1505-1516.DOI: 10.1039/C8NJ04729D.

7) Kumari, I.; Kaur, N.; Gupta, S.; Goel, N. Nucleotide conjugated (ZnO)3 cluster: Interaction and optical characteristics using TDDFT, J. Mol. Graph. Model. 2019, 87,211-219. DOI: 10.1016/j.jmgm.2018.12.001.

8) Kumari, I.; Kaur, N.; Gupta, S.; Goel, N. A QM/MM study on ethene and benzene oxidation using silica-supported chromium trioxide, J. Mol. Model. 2019, 25, 17-25. DOI: 10.1007/s00894-018-3899-x.

9) Kaur, N.; Gupta, S.; Goel, N. Enantioselective Synthesis of Sulfoxide using SBA-15 Supported Vanadia Catalyst: A Computational Elucidation using QM/MM Approach, Phys. Chem. Chem. Phys., 2017, 19, 25059. DOI: 10.1039/C7CP05153K.

10) Kaur, N.; Kumari, I.; Gupta, S.; Goel, N. Spin inversion phenomenon and two-state reactivity mechanism for direct benzene hydroxylation by V4O10 cluster. J. Phys. Chem. A. 2016, 120 (48), 9588-9597. DOI: 10.1021/acs.jpca.6b08666.

11) Bansal, S.; Kaur, N.; Chaudhary, G. R.; Mehta, S. K.; Ahluwalia, A. S. Physiochemical Properties of New Formulations of 1−Ethyl−3−methylimidazoliumBis(trifluoromethyl sulfonyl)imide with Tritons. J. Chem. Eng. Data. 2014, 59,3988−3999. DOI: 10.1021/je500502a.

Conferences, Seminars & Workshops

14 attended , Recent ones are

1. Presented poster in Strategies and challenges in computational oxides complexes with a conjugated polymer for visible light photocatalysis chemistry from molecular simulations to quantum crystallography held at Panjab University Chandigarh.
2. Presented Posted in Prof. Ram Chand Paul Annual symposium 2019 held at Panjab University, Chandigarh.



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