| NO adsorption studies on silicene nanosheet: DFT investigation R Chandiramouli, A Srivastava, V Nagarajan Applied Surface Science 351, 662-672, 2015 | 112 | 2015 |
| Investigation on graphdiyne nanosheet in adsorption of sorafenib and regorafenib drugs: a DFT approach U Srimathi, V Nagarajan, R Chandiramouli Journal of Molecular Liquids 277, 776-785, 2019 | 83 | 2019 |
| Arsenene nanoribbons for sensing NH3 and PH3 gas molecules–a first-principles perspective R Bhuvaneswari, V Nagarajan, R Chandiramouli Applied Surface Science 469, 173-180, 2019 | 83 | 2019 |
| Adsorption studies of alcohol molecules on monolayer MoS2 nanosheet—a first-principles insights V Nagarajan, R Chandiramouli Applied Surface Science 413, 109-117, 2017 | 77 | 2017 |
| Borophene nanosheet molecular device for detection of ethanol–a first-principles study V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1105, 52-60, 2017 | 74 | 2017 |
| Investigation of NH3 adsorption behavior on graphdiyne nanosheet and nanotubes: a first-principles study V Nagarajan, R Chandiramouli Journal of Molecular Liquids 249, 24-32, 2018 | 71 | 2018 |
| Germanane nanosheet as a novel biosensor for liver cirrhosis based on adsorption of biomarker volatiles–a DFT study U Srimathi, V Nagarajan, R Chandiramouli Applied Surface Science 475, 990-998, 2019 | 65 | 2019 |
| Density functional studies on the binding of methanol and ethanol molecules to graphyne nanosheet V Nagarajan, S Dharani, R Chandiramouli Computational and Theoretical Chemistry 1125, 86-94, 2018 | 62 | 2018 |
| NO2 adsorption behaviour on germanene nanosheet–a first-principles investigation V Nagarajan, R Chandiramouli Superlattices and Microstructures 101, 160-171, 2017 | 59 | 2017 |
| Interaction of Imuran, Pentasa and Hyoscyamine drugs and solvent effects on graphdiyne nanotube as a drug delivery system-A DFT study U Srimathi, V Nagarajan, R Chandiramouli Journal of Molecular Liquids 265, 199-207, 2018 | 58 | 2018 |
| Investigation on adsorption properties of CO and NO gas molecules on aluminene nanosheet: a density functional application V Nagarajan, R Chandiramouli Materials Science and Engineering: B 229, 193-200, 2018 | 58 | 2018 |
| First-principles investigation on structural and electronic properties of antimonene nanoribbons and nanotubes V Nagarajan, R Chandiramouli Physica E: Low-dimensional Systems and Nanostructures 97, 98-104, 2018 | 58 | 2018 |
| Boron trifluoride interaction studies on graphdiyne nanotubes–a first-principles insight JP Maria, V Nagarajan, R Chandiramouli Chemical Physics Letters 738, 136841, 2020 | 55 | 2020 |
| Adsorption studies of NH3 molecules on functionalized germanene nanosheet–a DFT study R Chandiramouli, V Nagarajan Chemical Physics Letters 665, 22-30, 2016 | 55 | 2016 |
| MoSe2 nanosheets for detection of methanol and ethanol vapors: a DFT study V Nagarajan, R Chandiramouli Journal of Molecular Graphics and Modelling 81, 97-105, 2018 | 53 | 2018 |
| A study on quercetin and 5-fluorouracil drug interaction on graphyne nanosheets and solvent effects—a first-principles study V Nagarajan, R Chandiramouli Journal of Molecular Liquids 275, 713-722, 2019 | 52 | 2019 |
| Adsorption behavior of NH3 and NO2 molecules on stanene and stanane nanosheets–a density functional theory study V Nagarajan, R Chandiramouli Chemical Physics Letters 695, 162-169, 2018 | 52 | 2018 |
| Novel bismuthene nanotubes to detect NH3, NO2 and PH3 gas molecules–A first-principles insight P Snehha, V Nagarajan, R Chandiramouli Chemical Physics Letters 712, 102-111, 2018 | 49 | 2018 |
| Borospherene nanostructure as CO and NO sensor–A first-principles study R Chandiramouli, V Nagarajan Vacuum 142, 13-20, 2017 | 49 | 2017 |
| TeO2 nanostructures as a NO2 sensor: DFT investigation V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1049, 20-27, 2014 | 49 | 2014 |
