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4.   A.Suvitha, S. Periandy, and M. Govindarajan “Vibrational spectroscopic studies, HOMO–LUMO, NBO, UV       and NMR analysis of 4-acetylpyridine” Asian Journal of physics 23, no 6(2014)1053-1062. Impact factor.1.166

5.     A.Suvitha, S. Periandy, M. Govindarajan and P.Gayathri  “FT-IR, FT-Raman spectra and HF-DFT  methods and NBO, HOMO-LUMO and electronic transition studies on 2,  2, 4  trimethylPentane”

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138 (2015)900– 912. Impact factor.3.23. (Q2 Journal)

6.    Umadevi M,  Suvitha A, Latha K, Rajkumar BJ, Ramakrishnan .v “Spectral investigations of preferential      solvation and solute-solvent interactions of 1,4-dimethylamino anthraquinone inCH2Cl2/C2H5OH mixtures”. Spectrochim Acta A Mol Biomol Spectroscopy 67(2007)910-915. Impact factor 3.23. (Q2 Journal)

8.   Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patilc , Chidanandayya S. Hiremathd, , , Seema S. Khemalapured,Subrat K. Pattanayake, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar,Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoreticalapproach, Journal of Molecular Structure, 1171 (2018) 362-374 May 2018. Impact factor.2.02 (Q2 Journal)

9.     Sudhir M. Hiremath, A. Suvitha, Ninganagouda R. Patil, Chidanandayya S. Hiremath, Seema S. Khemalapure, Subrat K.Pattanayak, Veerabhadrayya S. Negalurmath, Kotresh Obelannavar, Sanja J.Armaković, Stevan, ArmakovićSynthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H-[1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likenessproperties by combined computational and experimental approach. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 205 (2018) 95–110, July 2018. Impact factor.3.23. (Q2 Journal)

10.     Suvitha A, Spectral investigations, NLO, NBO, HOMO-LUMO, MEP, ADME parameters of 2-methyl-  benzoquinoneUsing quantum computations and CADD technique, AIP ConferenceProceedings 2162, 020037 Impact factor.1.2 (2019).

 11.   A. Suvitha, Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulations, Taylor & Francis   / Journal of Biomolecular Structure and Dynamics,  IF: 3.22 (2020). (Q2 Journal).

 12.  A.Suvitha, Quantitative experimental and theoretical research using the DFT technique on the structural, UV, electronic, and FMO properties of Gammaxene 11, 6, 2021, 14240 - 14250 Biointerface Research in Applied Chemistry, Scopus (Elsevier) (Q4) Journal.

 13. A.Suvitha, Nonlinear Optical Crystalline Nature Bis (2, 6-Diaminopyridine) Hydrogen Phthalate Nitrate Monohydrate (APPN) : Development and its Phase Matching Nature, Results in Optics 3 (2021) 100075.

 14.   A.Suvitha, The adsorption of 1-Chloro-1,2,2,2-tetrafluoroethane onto the pristine, Al-, and Ga-doped boron nitride nanosheet", has been accepted for publication in Iranian Journal of Science and Technology, Transactions A: Science(2021).

 15. A.Suvitha, Quantum Chemical Studies on Structural, Spectroscopic, Thermochemistry, Photo-physical and Bioactivity Properties of m-Cresol Purple Dye(2021) has been accepted for publication in Biointerface Research in Applied Chemistry, Scopus (Elsevier) (Q4) Journal.

16.   A.Suvitha, Boosted electronic, optical, and NLO responses of homo P-nanoclusters via conducting polymeric substituents, Computational and Theoretical Chemistry,2021 (Elsevier) (Q3) Journal. 113343

17. A.Suvitha, Exploring crystal electronic op􀆟cal and NLO properties of ethyl 4-(3,4 dimethoxy Phenyl 6 methyl 2 thioxo 1,2,3,4 tetrahydro Pyrimidine 5 carboxalate (MTTHPC), published on 22nd July 2021 in Optical and Quantum electronics(Q2)

18. A.Suvitha, Boosted electronic, optical and NLO responses of Homo P nanoclusters via conducting polymeric substituents, Published on 21st June 2021 in Computational and theoretical chemistry(Q3)

19 A.Suvitha, Molecular structure, FT Raman, IR, NLO, NBO, HOMO-LUMO analysis, physicochemical descriptors, ADME parameters, pharmacokinetic Bioactivity report on 2, 3, 5, 6 –Tetra Chloro-P- Benzoquinone, published on April 2021 in Journal of Structural Chemistry/ Journal(Q3)

20. A.Suvitha, Experimental and theoretical validation studies of ASnO3 (A=Ba, Ca, Sr) nanofibers for bioactivity applications, accepted on 5th May 2021 on International Journal of Nanotechnology/ Journal(Q4).

20. A.Suvitha, Optimizing pharmacokinetics via ADMET, Bioactivity of Zr substituted Samarium-Doped Ceria Nanomaterials, accepted on 4th June 2021 on International Journal of Nanotechnology/ Journal(Q4)

21. A.Suvitha, Experimental and theoretical analysis for the structural, FT-IR, NLO, NBO and RDG properties of Lindane using DFT Technique, accepted on 25th and 26th August 2021 in AIP conference proceedings.

22. A.Suvitha, Exploring the electronic and optical absorption properties for homo and hetero pyrrole-graphene quantum dots, accepted on Aug 30, 2021 in Journal of Computational Electronics (Q2)

23. A.Suvitha, Experimental, Computational analysis of Butein and Lanceoletin for Natural Dye Sensitized Solar cells and stabilizing efficiency by IoT published on September 14th 2021 in Environment, Development and Sustainability (Q2)

24. Optical limiting behavior, Nonlinear optical studies geometrical descripters, chemical properties and Topology analysis on Tetraethylammonium L-tartarate dihydrate Single Crystal, Journal of Molecular Crystals and Liquid Crystals (Q3), accepted on 25th November 2021

25. Boosted electronic, NLO and absorption characteristics for quercetin and taxifolin; compara􀆟ve experimental and DFT studies, Journal of Bio interface Research in Applied Chemistry (Q3), 7th November 2021.

26.Organic hexamine p-nitrophenol crystal: growth, optical, electrical, mechanical and density functional theoretical studies for nonlinear optical applications .optical materials (Q1), 26th march 2022.

27. exploring the crystal, ft-IR, optical, and NLO properties of 3,4-dichloro-6-ehtyl-6h-pyrano[3,2- c]quinoline-2,5-dione (dcpq),jan 2022 28 Diamond Morphology CuO Nanomaterial’s Elastic properties, ADMET, Optical, Structural Studies, Electrical Conductivity and antibacterial Activities Analysis, Inorganic and Nano-Metal Chemistry (Q3), Accepted on 17th Jan 2022

Languages Known: English, Tamil, Kannada and Hindi

Patents

1. Design Application No.329668-001, (2020) under examination. 

2. Product patent Application No.2756832-008, Published on 18th Sep. 2020.

3. Product patent Application No 202141026323, Filed on 14th June 2021

4. Product patent No.202241005354 published on 11th Feb2022.

5. Product patent Application No.202141043880 filed on 28th Sep 2021.

Invited Talks 

Invited Talk on NANOMATERIALS FOR INNOVATIVE DRUG DESIGN" on 20th April 2022, Department of Physics, KPR Institute of Engineering and Technology, Coimbatore

Events Attended

7.    A.Suvitha,  S.  Periandy,  and  P.Gayathri  “NBO,  HOMO–LUMO, UV,  NLO,  NMR  and  vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFTcomputational methods” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138 (2015) 357–369. Impact factor.3.23. (Q2 Journal)