| Exploring the structure–activity relations of N-carbethoxyphthalimide by combining FTIR, FT-Raman and NMR spectroscopy with DFT electronic structure method V Arjunan, ST Govindaraja, P Ravindran, S Mohan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 473-488, 2014 | 25 | 2014 |
| A comparative study on vibrational, conformational and electronic structure of 2-(hydroxymethyl) pyridine and 3-(hydroxymethyl) pyridine V Arjunan, PS Balamourougane, ST Govindaraja, S Mohan Journal of molecular structure 1018, 156-170, 2012 | 23 | 2012 |
| Spectroscopic, electronic structure and natural bond orbital analysis of o-fluoronitrobenzene and p-fluoronitrobenzene: A comparative study V Arjunan, ST Govindaraja, S Sakiladevi, M Kalaivani, S Mohan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 84 (1 …, 2011 | 19 | 2011 |
| DFT simulation, quantum chemical electronic structure, spectroscopic and structure–activity investigations of 2-benzothiazole acetonitrile V Arjunan, ST Govindaraja, SP Jose, S Mohan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 128, 22-36, 2014 | 17 | 2014 |
| Structural, vibrational and nuclear magnetic resonance investigations of 4-bromoisoquinoline by experimental and theoretical DFT methods V Arjunan, ST Govindaraja, A Jayapraksh, S Mohan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 107, 62-71, 2013 | 15 | 2013 |
| Surface hydroxyl group-enriched nickel cobalt molybdate hydrate for improved oxygen evolution activity in an anion exchange membrane water electrolyzer A Karmakar, TG Senthamaraikannan, E Baasanjav, P Bandyopadhyay, ... Applied Catalysis B: Environmental 328, 122504, 2023 | 14 | 2023 |
| Fundamental Mechanisms of Mercury Removal by FeCl3-and CuCl2-Impregnated Activated Carbons: Experimental and First-Principles Study DH Lim, S Choi, J Park, TG Senthamaraikannan, Y Min, SS Lee Energy & Fuels 34 (12), 16401-16410, 2020 | 14 | 2020 |
| Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches SKSK Zinoy Mandappan, Shubam Kumar, Krati Joshi, S. Thillai Govindaraja Journal of Hazardous Materials 388, 121755, 2020 | 12 | 2020 |
| Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena A Maibam, T Govindaraja, K Selvaraj, S Krishnamurty The Journal of Physical Chemistry C 123 (45), 27492-27500, 2019 | 12 | 2019 |
| Quasi-solid-state hybrid supercapacitors assembled by Ni-Co-P@ C/Ni-B nanoarrays and porous carbon nanofibers with N-doped C nanocages E Baasanjav, TG Senthamaraikannan, P Bandyopadhyay, DH Lim, ... Chemical Engineering Journal 466, 143064, 2023 | 11 | 2023 |
| Conformational analysis, spectroscopic and quantum chemical investigations of 2-bromo-3-nitroacetophenone V Arjunan, ST Govindaraja, S Subramanian, S Mohan Journal of molecular structure 1037, 73-84, 2013 | 11 | 2013 |
| Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study D Kumar, T Govindaraja, S Krishnamurty, S Kaliaperumal, S Pal Physical Chemistry Chemical Physics 20 (41), 26506-26512, 2018 | 9 | 2018 |
| Unveiling the positive effect of mineral induced natural organic matter (NOM) on catalyst properties and catalytic dechlorination performance: An experiment and DFT study TG Senthamaraikannan, DH Lim, M Choi, S Yoon, J Shin, K Chon, S Bae Water Research 222, 118871, 2022 | 8 | 2022 |
| Experimental and theoretical insights of anion regulation in MOF-derived Ni–Co-based nanosheets for supercapacitors and anion exchange membrane water electrolyzers P Bandyopadhyay, TG Senthamaraikannan, E Baasanjav, A Karmakar, ... ACS Applied Materials & Interfaces 15 (27), 32436-32452, 2023 | 7 | 2023 |
| Graphite-supported single copper catalyst for electrochemical CO2 reduction: A first-principles approach CM Lee, TG Senthamaraikannan, DY Shin, JA Kwon, DH Lim Computational and Theoretical Chemistry 1201, 113277, 2021 | 7 | 2021 |
| CO2 Reduction to C1 and C2 Compounds on Sulfur-Deficient Mackinawite (FeS): A Density Functional Theory Study TG Senthamaraikannan, DH Lim J. Phys. Chem. C 126 (16), 7012-7021, 2022 | 6 | 2022 |
| Electronic structure investigations of 4-methyl-3-penten-2-one by UV–Visible and NMR spectral studies and natural bond orbital analysis by DFT calculations V Arjunan, A Jayaprakash, R Santhanam, ST Govindaraja, S Mohan Journal of molecular structure 1022, 37-48, 2012 | 6 | 2012 |
| Hybrid Pd38 nanocluster/Ni(OH)2-graphene catalyst for enhanced HCOOH dehydrogenation: First principles approach DY Shin, MS Kim, S Kang, JA Kwon, T Govindaraja, CW Yoon, DH Lim Korean Journal of Chemical Engineering 37, 1411-1418, 2020 | 5 | 2020 |
| Dehydrogenation of ethylene diamine monoborane adducts and their cyclic products (monomers, dimers, and trimers): Potential liquid organic hydrogen carriers TG Senthamaraikannan, Y Min, JH Lee, TY Song, DH Lim International Journal of Hydrogen Energy 46 (10), 7336-7350, 2021 | 4 | 2021 |
| Graphene-based frustrated Lewis pairs as bifunctional catalysts for CO 2 reduction via the dissociative chemisorption of molecular H 2: a periodic density functional perspective TG Senthamaraikannan, S Krishnamurty, S Kaliaperumal New Journal of Chemistry 45 (22), 9959-9966, 2021 | 4 | 2021 |
Dong-Hee Lim (임동희)Professor of Environmental Engineering, Chungbuk National University, Korea (South)Verified email at cbnu.ac.kr
