| Metal chelating ability and antioxidant properties of Curcumin-metal complexes–A DFT approach CPV Mary, S Vijayakumar, R Shankar Journal of Molecular Graphics and Modelling 79, 1-14, 2018 | 115 | 2018 |
| Impact of oxygen functional groups on reduced graphene oxide-based sensors for ammonia and toluene detection at room temperature CR Minitha, VS Anithaa, V Subramaniam, RT Rajendra Kumar ACS omega 3 (4), 4105-4112, 2018 | 74 | 2018 |
| Magnetite nanoparticle decorated reduced graphene oxide composite as an efficient and recoverable adsorbent for the removal of cesium and strontium ions CR Minitha, R Suresh, UK Maity, Y Haldorai, V Subramaniam, P Manoravi, ... Industrial & Engineering Chemistry Research 57 (4), 1225-1232, 2018 | 43 | 2018 |
| Structural insights into the anti-cancer activity of quercetin on G-tetrad, mixed G-tetrad, and G-quadruplex DNA using quantum chemical and molecular dynamics simulations S Vinnarasi, R Radhika, S Vijayakumar, R Shankar Journal of Biomolecular Structure and Dynamics, 2019 | 40 | 2019 |
| Production of biosurfactant by Pseudomonas aeruginosa PB3A using agro-industrial wastes as a carbon source V Saravanan, S Vijayakumar | 40 | 2014 |
| DFT-based investigation on adsorption of methane on pristine and defected graphene VS Anithaa, R Shankar, S Vijayakumar Structural Chemistry 28, 1935-1952, 2017 | 39 | 2017 |
| Modeling of 2-D hydrogen-edge capped defected & boron-doped defected graphene sheets for the adsorption of CO2, SO2 towards energy harvesting applications R Akilan, M Malarkodi, S Vijayakumar, S Gopalakrishnan, R Shankar Applied Surface Science 463, 596-609, 2019 | 36 | 2019 |
| Red-shifted and improper blue-shifted hydrogen bonds in dimethyl ether (DME) n (n= 1–4) and hydrated (DME) n (n= 1–4) clusters. A theoretical study S Vijayakumar, P Kolandaivel Journal of molecular structure 734 (1-3), 157-169, 2005 | 35 | 2005 |
| Density functional theory study on the adsorption of alkali metal ions with pristine and defected graphene sheet S Sangavi, N Santhanamoorthi, S Vijayakumar Molecular Physics 117 (4), 462-473, 2019 | 25 | 2019 |
| Theoretical insights into the metal chelating and antimicrobial properties of the chalcone based Schiff bases C Pitchumani Violet Mary, R Shankar, S Vijayakumar Molecular Simulation 45 (8), 636-645, 2019 | 20 | 2019 |
| The hazardous effects of the environmental toxic gases on amyloid beta-peptide aggregation: A theoretical perspective V Saranya, PV Mary, S Vijayakumar, R Shankar Biophysical Chemistry 263, 106394, 2020 | 19 | 2020 |
| Differentiating serine and cysteine proteases mechanism by new covalent QSAR descriptors M Shokhen, T Traube, S Vijayakumar, M Hirsch, N Uritsky, A Albeck Chembiochem: a European journal of chemical biology 12 (7), 1023, 2011 | 19 | 2011 |
| Maximizing power output of partially shaded photovoltaic arrays using SuDoKu configuration D Manimegalai, M Karthikeyan, SC Vijayakumar ARPN J Eng Appl Sci 13 (1), 124-133, 2018 | 18 | 2018 |
| Study of static dipole polarizabilities, dipole moments, and chemical hardness for linear CH3–(CC) n–X (X= H, F, Cl, Br, and NO2 and n= 1–4) molecules S Vijayakumar, P Kolandaivel Journal of Molecular Structure: THEOCHEM 770 (1-3), 23-30, 2006 | 18 | 2006 |
| Role of 6-Mercaptopurine in the potential therapeutic targets DNA base pairs and G-quadruplex DNA: insights from quantum chemical and molecular dynamics simulations R Radhika, R Shankar, S Vijayakumar, P Kolandaivel Journal of Biomolecular Structure and Dynamics 36 (6), 1369-1401, 2018 | 17 | 2018 |
| A theoretical study on the reaction mechanism and kinetics of allyl alcohol (CH2 = CHCH2OH) with ozone (O3) in the atmosphere C Elakiya, R Shankar, S Vijayakumar, P Kolandaivel Molecular Physics 115 (7), 895-911, 2017 | 17 | 2017 |
| Structural and electronic properties of graphene and its derivatives physisorbed by ionic liquids VS Anithaa, R Shankar, S Vijayakumar Diamond and Related Materials 109, 108005, 2020 | 16 | 2020 |
| Toxicity of magnesium oxide nanoparticles in two fresh water fishes tilapia (Oreochromis mossambicus) and zebrafish (Danio rerio) J Thomas, S Vijayakumar, S Thanigaivel, A Mukherjee, ... Int. J. Pharm. Pharm. Sci 6 (2), 487-490, 2014 | 16 | 2014 |
| Modeling of Si–B–N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li+ Ion and CO2 Gas Molecule A Rajamani, V Saravanan, S Vijayakumar, R Shankar ACS omega 4 (9), 13808-13823, 2019 | 15 | 2019 |
| Adsorption of Mn atom on pristine and defected graphene: a density functional theory study VS Anithaa, R Shankar, S Vijayakumar Journal of molecular modeling 23, 1-17, 2017 | 14 | 2017 |
