First-Principles Density Functional Theory Calculations on the Potential of Sc2CO2 MXene Nanosheets as a Dual-Mode Sensor for Detection of Volatile Organic … RP Reji, SKC Balaji, Y Sivalingam, Y Kawazoe, S Velappa Jayaraman ACS Applied Nano Materials 6 (7), 5345-5356, 2023 | 32 | 2023 |
"Tuning the π-conjugation of 2-Thiohydantions towards a rigorously defined detection of volatile organic compounds (VOCs) by surface photovoltage" P GAWAS, A Bora, R P. Reji, SK C.B., ... ACS Applied Electronic Materials, 2022 | 10 | 2022 |
Compensated Ferrimagnetism and Half‐Metallic Behavior in Potassium (K) Intercalated Naphthalene A Marik, CB Sarath Kumar, S Mohakud physica status solidi (b) 257 (12), 2000398, 2020 | 2 | 2020 |
Hydration of amino acids: An investigation using density functional theory CBS Kumar, RP Reji, M Gobinath, Y Sivalingam, VJ Surya IOP Conference Series: Materials Science and Engineering 1219 (1), 012006, 2022 | 1 | 2022 |
Adsorption characteristics of pristine and defective SWCNTs towards F and Cl species: A density functional theory investigation towards water quality monitoring applications M Elakia, CB Sarath Kumar, RP Reji, Y Sivalingam, VJ Surya International Journal of Computational Materials Science and Engineering …, 2024 | | 2024 |
Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications SK Syamlal, CBS Kumar, RP Reji, PS Roshal, Y Sivalingam, VJ Surya Chemosphere 307, 135947, 2022 | | 2022 |
Hydration of amino acids: An investigation using density functional theory C B Sarath Kumar , Mayank , Rence P Reji ,Gobinath Marappan , Yuvaraj ... IOP, 2021 | | 2021 |
Conversion of Carbon Dioxide to Methanol in Size Selected Copper Cluster on Graphene Substrate-a Computational Study I KOMBIAH, MJ Swamynathan, CB Kumar, RP Reji, I Lakshmi, Y Kawazoe, ... Rence Painappallil and Lakshmi, I. and Kawazoe, Yoshiuki and Surya, Velappa …, 0 | | |