| Adsorption behaviour of reduced graphene oxide towards cationic and anionic dyes: Co-action of electrostatic and π – π interactions RTRK Cherukutty Ramakrishnan Minitha, Murugan Lalitha, Yekkoni Lakshmanan ... Materials Chemistry and Physics, 2017 | 161 | 2017 |
| Calcium Decorated and Doped Phosphorene for Gas Adsorption M lalitha, Y Natara, S Lakshmipathi Applied Surface Science 377, 311-323, 2016 | 74 | 2016 |
| Interaction studies of cysteine with Li+, Na+, K+, Be2+, Mg2+, and Ca2+ metal cation complexes R Shankar, P Kolandaivel, L Senthilkumar Journal of Physical Organic Chemistry 24 (7), 553-567, 2011 | 56 | 2011 |
| Hydrogen bonding in substituted formic acid dimers L Senthilkumar, TK Ghanty, SK Ghosh, P Kolandaivel The Journal of Physical Chemistry A 110 (46), 12623-12628, 2006 | 46 | 2006 |
| Electron density and energy decomposition analysis in hydrogen-bonded complexes of azabenzenes with water, acetamide, and thioacetamide L Senthilkumar, TK Ghanty, SK Ghosh The Journal of Physical Chemistry A 109 (33), 7575-7582, 2005 | 44 | 2005 |
| Multi walled Carbon Nanotube Oxygen Sensor: Enhanced Oxygen Sensitivity at Room Temperature and Mechanism of Sensing R Vel, L Murugan, RJ Kullan, S Lakshmipathi, RKR Thangavelu ACS Applied Materials & Interfaces, 2015 | 34 | 2015 |
| Theoretical studies on hydrogen bonding in caffeine–theophylline complexes M Karthika, L Senthilkumar, R Kanakaraju computational and theoretical chemistry 979, 54-63, 2012 | 31 | 2012 |
| Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study AM Priya, L Senthilkumar, P Kolandaivel Structural Chemistry 25 (1), 139-157, 2014 | 25 | 2014 |
| Coordination and binding properties of zwitterionic glutathione with transition metal cations R Shankar, P Kolandaivel, L Senthil Kumar Inorganica Chimca acta 387, 125-136, 2012 | 25 | 2012 |
| Influence of In-plane Stone-Thrower-Wales Defects and Edge Functionalisation on the Adsorption of CO2 and H2O on Graphene L Murugan, S Lakshmipathi, SK Bhatia RSC Advances 4, 39576-39587, 2014 | 22 | 2014 |
| Degradation of methyl salicylate through Cl initiated atmospheric oxidation - A theoretical study MP Angappan, S Lakshmipathi RSC Advances 4, 23464, 2014 | 22 | 2014 |
| Interface energetics of [Emim]+[X]− and [Bmim]+[X]− (X = BF4, Cl, PF6, TfO, Tf2N) based ionic liquids on graphene, defective graphene, and graphyne surfaces L Murugan, L Senthilkumar Journal of Molecular Liquids, 2017 | 20 | 2017 |
| DFT Study on X−.(H2O) n=1-10 (X=OH, NO2, NO3, CO3) Anionic Water Cluster M Lalitha, L Senthilkumar Journal of Molecular Graphics and Modelling 54, 148-163, 2014 | 18 | 2014 |
| Study of effective hardness and condensed Fukui functions using AIM, ab initio, and DFT methods L Senthilkumar, P Kolandaivel* Molecular Physics 103 (4), 547-556, 2005 | 18 | 2005 |
| Improved lithium adsorption in boron- and nitrogen substituted graphene derivatives M Lalitha, SS Mahadevan, S Lakshmipathi Journal of Material Science, 2016 | 17 | 2016 |
| Influence of metal ions (Zn2+, Cu2+, Ca2+, Mg2+ and Na+) on the water coordinated neutral and zwitterionic L-Histidine dimer P Umadevi, L Senthilkumar RSC Advances 4, 49040-49052, 2014 | 16 | 2014 |
| Defect-Mediated Reduction in Barrier for Helium Tunneling through Functionalized Graphene Nanopores L Murugan, L Senthilkumar, SK Bhatia The Journal of Physical Chemistry C 119 (36), 20940, 2015 | 15 | 2015 |
| Theoretical investigations on the hydrogen bonding of nitrile isomers with H2O, HF, NH3 and H2S V Umadevi, L Senthilkumar, P Kolandaivel Molecular Simulation 39 (11), 908-921, 2013 | 15 | 2013 |
| H, OH and COOH functionalized magnesium phthalocyanine as a catalyst for oxygen reduction reaction (ORR) – A DFT study T Thangaraj, A Agnes Lincy, A Basheer, S Ramesh, L Senthilkumar International Journal of Hydrogen Energy 45 (15), 8540-8548, 2020 | 14 | 2020 |
| Hydrogen-bond interactions in hydrated 6-selenoguanine tautomers: a theoretical study M Karthika, L Senthilkumar, R Kanakaraju Structural Chemistry 25 (1), 197-213, 2014 | 14 | 2014 |
