NAME OF THE STAFF	Mrs.S.Sarala
DESIGNATION	Assistant Professor
QUALIFICATION	M.Sc., M.Phil,
DATE OF JOINING	12.09.2016
FACULTY DEVELOPMENT PROGRAMME	Participated in a three day online FDP on “Growth, Characterization of NLO materials and Spectroscopic Studies” held from 10.06.2021 to 12.06.2021 conducted by department of Physics in Mohamed Sathak A J College of Engineering,Chennai.
PAPER PUBLICATIONS	1)Y. Sheena Mary, Y. Shyma Mary, Ali Shokuhi Rad, Rohitash Yadav c, Ismail Celik, S. Sarala “Theoretical investigation on the reactive and interaction properties of sorafenib – DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation” Journal of Molecular Liquids 330 (2021) 115652. https://doi.org/10.1016/j.molliq.2021.115652 2)M. Sathish, L. Rajasekaran, D. Shanthi, N. Kanagathara, S. Sarala, S. Muthu, “Spectroscopic (FT-IR, FT-Raman, UV-Vis) molecular structure, electronic, molecular docking, and thermodynamic investigations of indole-3-carboxylic acid by DFT method” Journal of Molecular Structure 1234 (2021) 130182. https://doi.org/10.1016/j.molstruc.2021.130182 3)S. Sarala, S.K. Geetha, S. Muthu, Fazilath Basha Asiff, “Vibrational spectra and Wavefunction investigation for antidepressant drug of Amoxapine based on quantum computational studies” Chemical Data Collections 33 (2021) 100699. https://doi.org/10.1016/j.cdc.2021.100699 4)S.Sarala, S.K.Geetha, S.Muthu, Ahmad Irfan Theoretical investigation on influence of protic and aprotic solvents effect and structural (Monomer, Dimer), Van-der Waals and Hirshfeld surface analysis for clonidine molecule 1204 (2021) 113397. https://doi.org/10.1016/j.comptc.2021.113397 5)Mary, Y.S., Mary, Y.S., Resmi, K.S., Sarala, S. et al. Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies. J Mol Model 27, 186 (2021). https://doi.org/10.1007/s00894-021-04800-6 6)Sheena Mary, Y., Shyma Mary, Y., Yadav, Rohitash, Celik, Ismail, Rad, Ali Shokuhi, Sarala, S. MD, DFT Investigations and Inhibition of the Novel SARS- CoV-2 Mainprotease in Three Cocrystals of Hydrochloro- thiazide,J. Analytical Chemistry Letters 11 (2021) 450-468. https://doi.org/10.1080/22297928.2021.1934538 7)Jamelah S. Al-Otaibi, Y. Sheena Mary, Shiji Fazil, Y. Shyma Mary & S. Sarala, Modeling the structure and reactivity landscapes of a pyrazole-ammonium ionic derivative using wavefunction-dependent characteristics and screening for potential anti-inflammatory activity, Journal of Biomolecular Structure and Dynamics (2021):  DOI: 10.1080/07391102.2021.1957020. 8)S.Sarala, S.K.Geetha, S.Muthu, Ahmad Irfan, Probing solvent effect and strong and weak interactions in 2-Nitrophenyl-hydrazine using independent gradient model and Hirshfeld from wave function calculation 2021( 341) 117345. https://doi.org/10.1016/j.molliq.2021.117345 9)Sarala, S., Geetha, S.K., Muthu, S. et al. Computational investigation, comparative approaches, molecular structural, vibrational spectral, non-covalent interaction (NCI), and electron excitations analysis of benzodiazepine derivatives. J Mol Model 27, 266 (2021). https://doi.org/10.1007/s00894-021-04877-z
CONFERENCE PUBLICATIONS	1) Presented a paper in the topic ‘ACOUSTICAL AND SPECTRO STUDIES ON NANO TiO 2 INTRODUCED INTOPEG200 POLYMER MATRIX’   in National Conference on ‘Recent Technological Advances in Basic and Applied Sciences’ held on 25th of February 2020 in Department of Electronics and Communication Science, Alpha Arts and Science College, Chennai. 2) Comparative experimental and Theoretical Study (DFT/B3LYP) of antidepressant drug Trimipramine (Paper id: ICSM-PHY-1034) in International virtual conference on smart advanced material Science and engineering applications (IVCSAMSEA-2020), Guntur, India.
BOOKS/CHAPTER PUBLICATIONS
CONFERENCE/SEMINAR/WEBINAR PARTICIPATION	1)Participated in Webinar “History of Nuclear fission” held at V.O.Chidambaram College, Thoothukudi on 25.05.2020 2)Participated in International Virtual Conference “Advances in Physical, Mathematical & Computational Sciences” held St. Aloysius’ College, Jabalpur on 12.06.2020 & 13.06.2020 3) Participated & Presented a paper in Virtual conference “Smart Advanced material Sciences and Engineering Applications” held at K.L.University, Guntur on 03.12.2020  to 05.12.2020 4) International Webinar on “An Extreme-Scale Distributed Parallel Optimization for Energy Communities “organized by Department of Electrical & Electronics Engineering, Mandsaur University, Mandsaur on 07.06.2021