| A computational investigation on the structure, global parameters and antioxidant capacity of a polyphenol, Gallic acid VK Rajan, K Muraleedharan Food Chemistry 220, 93-99, 2017 | 190 | 2017 |
| The natural food colorant Peonidin from cranberries as a potential radical scavenger–A DFT based mechanistic analysis VK Rajan, CK Hasna, K Muraleedharan Food chemistry 262, 184-190, 2018 | 51 | 2018 |
| A DFT based analysis of adsorption of Hg2+ ion on chitosan monomer and its citralidene and salicylidene derivatives: prior to the removal of Hg toxicity B Hassan, VK Rajan, VMA Mujeeb, K Muraleedharan International journal of biological macromolecules 99, 549-554, 2017 | 42 | 2017 |
| DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid TKS Ahamed, VK Rajan, K Sabira, K Muraleedharan Computational biology and chemistry 80, 66-78, 2019 | 39 | 2019 |
| DFT studies on global parameters, antioxidant mechanism and molecular docking of amlodipine besylate KPS Hussan, MS Thayyil, VK Rajan, K Muraleedharan Computational Biology and Chemistry 80, 46-53, 2019 | 39 | 2019 |
| Synthesis and molecular dynamics of double active pharmaceutical ingredient-benzalkonium ibuprofenate KPS Hussan, MS Thayyil, SK Deshpande, TV Jinitha, VK Rajan, KL Ngai Journal of Molecular Liquids 223, 1333-1339, 2016 | 29 | 2016 |
| The pKa values of amine based solvents for CO2 capture and its temperature dependence—an analysis by density functional theory K Muraleedharan International Journal of Greenhouse Gas Control 58, 62-70, 2017 | 28 | 2017 |
| Fluorescent carbon nanodots as efficient nitro aromatic sensor-analysis based on computational perspectives NKR V.A Ansi, K.R. Vijisha, K. Muraleedharan Sensors and Actuators A: Physical 302, 111817, 2019 | 25* | 2019 |
| Studies on the UV filtering and radical scavenging capacity of the bitter masking flavanone Eriodictyol VK Rajan, TKS Ahamed, K Muraleedharan Journal of Photochemistry and Photobiology B: Biology 185, 254-261, 2018 | 25 | 2018 |
| Experimental and density functional theory studies on benzalkonium ibuprofenate, a double active pharmaceutical ingredient KPS Hussan, MS Thayyil, VK Rajan, K Muraleedharan Computational Biology and Chemistry 72, 113-121, 2018 | 25 | 2018 |
| Green synthesis of pure and doped semiconductor nanoparticles of ZnS and CdS K Muraleedharan, VK Rajan, VMA Mujeeb Transactions of Nonferrous Metals Society of China 25 (10), 3265-3270, 2015 | 24 | 2015 |
| A computational exploration into the structure, antioxidant capacity, toxicity and drug-like activity of the anthocyanidin “Petunidin” VK Rajan, C Ragi, K Muraleedharan Heliyon 5 (7), 2019 | 22 | 2019 |
| QSAR modeling of benzoquinone derivatives as 5-lipoxygenase inhibitors TKS Ahamed, VK Rajan, K Muraleedharan Food science and human wellness 8 (1), 53-62, 2019 | 20 | 2019 |
| Spectral variations associated with anthocyanin accumulation; an apt tool to evaluate zinc stress in Zea mays L. E Janeeshma, VK Rajan, JT Puthur Chemistry and Ecology 37 (1), 32-49, 2021 | 16 | 2021 |
| Exploration of the thermal decomposition of oxalates of copper and silver by experimental and computational methods. K Sarada, VK Rajan, K Muraleedharan Journal of Analytical and Applied Pyrolysis: 120, 207-214., 2016 | 15 | 2016 |
| QSAR classification-based virtual screening followed by molecular docking studies for identification of potential inhibitors of 5-lipoxygenase TKS Ahamed, VK Rajan, K Sabira, K Muraleedharan Computational Biology and Chemistry 77, 154-166, 2018 | 14 | 2018 |
| Molecular dynamics in amorphous pharmaceutically important protic ionic liquid–benzalkonium chloride SH KP, MS Thayyil, M Binesh, SK Deshpande, VK Rajan Journal of Molecular Liquids 251, 487-491, 2018 | 14 | 2018 |
| The Interplay between Charge Transport and CO2 Capturing Mechanism in [EMIM][SCN] Ionic Liquid: A Broadband Dielectric Study. SH K. P., MS Thayyil, VK Rajan, A Antony. J. Phys. Chem. B. 123 (30), 6618-6626, 2019 | 12 | 2019 |
| A non toxic natural food colorant and antioxidant ‘Peonidin’as a pH indicator: A TDDFT analysis VK Rajan, SA TK, CK Hasna, K Muraleedharan Computational biology and chemistry 76, 202-209, 2018 | 11 | 2018 |
| Betti base and its modified phthalonitrile derivative for the turn on fluorimetric detection of Hg2+ and Cr3+ ions GS Amitha, VK Rajan, B Amritha, K Muraleedharan, S Vasudevan Journal of Photochemistry and Photobiology A: Chemistry 382, 111904, 2019 | 9 | 2019 |
