| Boron trifluoride interaction studies on graphdiyne nanotubes–a first-principles insight JP Maria, V Nagarajan, R Chandiramouli Chemical Physics Letters 738, 136841, 2020 | 48 | 2020 |
| Graphdiyne nanosheets as a sensing medium for formaldehyde and formic acid–A first-principles outlook R Bhuvaneswari, JP Maria, V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1176, 112751, 2020 | 43 | 2020 |
| Novel ε-phosphorene nanosheet device for the detection of tear gas molecules–a first-principles research R Bhuvaneswari, JP Maria, V Nagarajan, R Chandiramouli Chemical Physics Letters 747, 137353, 2020 | 41 | 2020 |
| Kagome phosphorene molecular device for sensing chloropicrin and phosgene–A first-principles study JP Maria, R Bhuvaneswari, V Nagarajan, R Chandiramouli Chemical Physics Letters 771, 138472, 2021 | 36 | 2021 |
| Exploring adsorption behavior of ethylene dichloride and dibromide vapors on blue phosphorene nanosheets: a first-principles acumens JP Maria, R Bhuvaneswari, V Nagarajan, R Chandiramouli Journal of Molecular Graphics and Modelling 95, 107505, 2020 | 30 | 2020 |
| Diethanolamine and quaternium-15 interaction studies on antimonene nanosheet based on first-principles studies JP Maria, R Bhuvaneswari, V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1157, 19-27, 2019 | 26 | 2019 |
| Benzyl chloride and chlorobenzene adsorption studies on bismuthene nanosheet: A DFT study JP Maria, V Nagarajan, R Chandiramouli Journal of Inorganic and Organometallic Polymers and Materials 30, 1888-1897, 2020 | 23 | 2020 |
| DFT study on the interaction properties of V-series nerve agent molecules on novel bismuthene nanotubes R Bhuvaneswari, JP Maria, V Nagarajan, R Chandiramouli Journal of Inorganic and Organometallic Polymers and Materials 29, 2226-2236, 2019 | 21 | 2019 |
| First-principles studies on sensing properties of delta arsenene nanoribbons towards hexane and heptane molecules JP Maria, V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1201, 113256, 2021 | 17 | 2021 |
| Investigation on adsorption features of nitroglycerin on novel red tricycle arsenene nanosheet–A first-principles study JP Maria, V Nagarajan, R Chandiramouli Journal of Molecular Graphics and Modelling 100, 107653, 2020 | 15 | 2020 |
| Chemosensing nature of black phosphorene nanotube towards C14H9Cl5 and C10H5Cl7 molecules–A first-principles insight JP Maria, V Nagarajan, R Chandiramouli Computational and Theoretical Chemistry 1196, 113109, 2021 | 14 | 2021 |
