Structure-property relationship of a nitrogen-rich energetic salt: melamine-melaminium 3, 4, 5 trihydroxybenzoate dihydrate-a DFT approach AS Kalyan, S Selvakumari, S Thennarasu, V Ragavendran, J Janczak, ... SPECTROSCOPY LETTERS , 2026 2026
Crystal structure, vibrational, and electronic characterization and topological analysis of Glycine-Glycinium Pyromellitate (−) Dihydrate BS Lakshmi, V Sabari, E Mohanapriya, K Sukumar, J Janczak, ... Journal of Photochemistry and Photobiology A: Chemistry, 117054 , 2026 2026 Citations: 1
Experimental and theoretical investigation on N-(Naphthalen-5-yl)-N-phenyl benzamide organic single crystal toward its NLO applications R Chinnaraj, P Peethambaram, V Vaithiyanathan, R Venkatesan, T Yadav Journal of Materials Science: Materials in Electronics 37 (3), 217 , 2026 2026 Citations: 1
Quantum chemical exploration of piperazinium nitrate: molecular stability, reactivity descriptors, electronic excitations, intermolecular interactions, and NLO activity V Vijayalakshmi, G Suresh, S Selvakumari, V Ragavendran, J Janczak, ... The European Physical Journal B 99 (1), 1 , 2026 2026
Synthesis, XRD analysis, FTIR and Raman spectroscopy, Hirshfeld surface analysis and density functional theory of NLO material L-phenylalanine L-phenylalaninium malonate A Vichithra, P Vasudevan, V Ragavendran, N Kanagathara, S Azhagiri, ... Journal of Molecular Structure 1342, 142787 , 2025 2025 Citations: 5
Anthracene appended Schiff base ligands: Structural inside and application in colorimetric sensing of metal ions and anions N Yadav, K Kumar, S Lakhera, V Ragavendran, IK Pandey, UN Tripathi, ... Journal of Molecular Structure, 143901 , 2025 2025
Green Chemistry-Assisted Synthesis of Metal Nanoparticles and Fabrication of Microstructurally Engineered Conductive and Endurable M 0 @PEO Functional Films A Das, R Chatterjee, S Sarkar, G Ninave, D Bose, AK Dutta, S Biswas, ... ACS omega 10 (34), 38609-38628 , 2025 2025 Citations: 2
Structural and computational insights into a benzene sulfonamide derivative: Hirshfeld surface, energy framework, optical, NBO, electronic and biological properties N Kanagathara, G Dhanalakshmi, E Mohanapriya, P Manikandan, ... Journal of Molecular Structure 1330, 141347 , 2025 2025 Citations: 9
Structure, DFT calculations, spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 3-(hydroxymethyl) pyridinium 4-hydroxybenzenesulfonate E Mohanapriya, S Elangovan, J Janczak, K Sukumar, N Kanagathara, ... Materials Today Communications 41, 110632 , 2024 2024 Citations: 23
Synthesis, spectral characterization, SC-XRD, Hirshfeld, DFT and in silico antidiabetic activity of novel imine (E)-N-(2-nitro benzylidene) naphthalene-1-amine, a newly … I Rama, A Subashini, M Nadhiya, V Ragavendran, N Kanagathara, ... Journal of Molecular Structure 1292, 136084 , 2023 2023 Citations: 3
A proof of concept for the micellization of quercetin with anionic surfactants: Effect of counter ion R Vigneshwari, K Sivakumar, G Parinamachivayam, V Ragavendran, ... Journal of Molecular Liquids 388, 122671 , 2023 2023 Citations: 3
Molecular Docking Assessment of Cathinones as 5-HT 2A R Ligands: Developing of Predictive Structure-Based Bioactive Conformations and Three-Dimensional … N Tomašević, M Vujović, E Kostić, V Ragavendran, B Arsić, SL Matić, ... Molecules 28 (17), 6236 , 2023 2023 Citations: 5
Phytochemicals as an Active Pharmaceutical Ingredient of Ocimum Sanctum and Azadirachta Indica: A Theoretical Screening Study S Patanayak, G Ninave, M Mukherjee, J Mukhopadhyay, V Ragavendran, ... Microelectronics, Circuits and Systems: Select Proceedings of Micro2021, 535-546 , 2023 2023 Citations: 5
Quantum computational investigation into structural, spectroscopic, topological and electronic properties of L-histidinium-L-tartrate hemihydrate: Nonlinear optical organic … N Kanagathara, VJ Thanigaiarasu, V Ragavendran, MK Marchewka, ... Heliyon 9 (4) , 2023 2023 Citations: 16
Quantum chemical computational studies of 1, 3-diammonium propylarsenate: a semi organic crystalline salt K Senthilkumar, N Kanagathara, V Ragavendran, V Natarajan, ... Inorganic and Nano-Metal Chemistry 52 (10), 1352-1363 , 2022 2022 Citations: 11
Synthesis, structural-spectral characterization and theoretical studies of Pyridinium-4-carbohydrazide 2, 4, 6-trinitrophenolate P Mahalakshmi, V Balraj, G Vinitha, V Ragavendran Journal of Molecular Structure 1262, 132779 , 2022 2022 Citations: 18
Synthesis, structural-spectral characterization and density functional theoretical studies of pyridine-4-carbohydrazide bis (4-hydroxynitrobenzene) P Mahalakshmi, V Balraj, P Murugasen, G Vinitha, V Ragavendran Journal of Molecular Structure 1247, 131362 , 2022 2022 Citations: 6
Synthesis, crystal growth, crystal investigation, optical, thermal, DFT and NLO studies of 2-methylanilinium-4-methylbenzenesulfonate organic single crystal: Experimental and … C Raveendiran, P Prabukanthan, V Ragavendran, G Harichandran, ... Materials Today: Proceedings 66, 1769-1778 , 2022 2022 Citations: 7
Structural and Vibrational Investigation of Benzil‐(1, 2‐Diphenylethane‐1, 2‐Dione): Experimental and Theoretical Studies N Kanagathara, K Senthilkumar, V Sabari, V Ragavendran, S Elangovan Journal of Chemistry 2022 (1), 5968496 , 2022 2022 Citations: 13
Using low cost materials for highly efficient eco-friendly FASnI3 based solar cell with Cu2O as HTM and TiO2 as ETM with different metal contacts M Vishnuwaran, K Ramachandran, P Roy, A khare, V Ragavendran Authorea 2021 (1110) , 2021 2021 Citations: 4
MOST CITED SCHOLAR PUBLICATIONS
Experimental and theoretical (DFT) investigation of crystallographic, spectroscopic and Hirshfeld surface analysis of anilinium arsenate N Kanagathara, F MaryAnjalin, V Ragavendran, D Dhanasekaran, ... Journal of Molecular Structure 1223, 128965 , 2021 2021 Citations: 34
An organic benzimidazolium benzilate (BDBA) crystal: Structural description, spectral investigations, DFT calculations, thermal, photoluminescence, linear and nonlinear optical … MA Gomathi, C Karnan, T Sivanesan, JC Rhoda, S Manivannan, ... Chemical Physics Letters 776, 138705 , 2021 2021 Citations: 28
Structure, DFT calculations, spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 3-(hydroxymethyl) pyridinium 4-hydroxybenzenesulfonate E Mohanapriya, S Elangovan, J Janczak, K Sukumar, N Kanagathara, ... Materials Today Communications 41, 110632 , 2024 2024 Citations: 23
Synthesis, Structural and Morphological Property of BaSnO 3 Nanopowder Prepared by Solid State Ceramic Method J John, VP Mahadevan Pillai, AR Thomas, R Philip, J Joseph, ... IOP conference series: materials science and engineering 195 (1), 012007 , 2017 2017 Citations: 21
A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations S Muthunatesan, V Ragavendran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 134, 148-154 , 2015 2015 Citations: 19
Synthesis, structural-spectral characterization and theoretical studies of Pyridinium-4-carbohydrazide 2, 4, 6-trinitrophenolate P Mahalakshmi, V Balraj, G Vinitha, V Ragavendran Journal of Molecular Structure 1262, 132779 , 2022 2022 Citations: 18
DFT calculations as an efficient tool for prediction of Raman and infra-red spectra and activities of newly synthesized cathinones M Vujović, V Ragavendran, B Arsić, E Kostić, M Mladenović Open Chemistry 18 (1), 185-195 , 2020 2020 Citations: 18
Quantum computational investigation into structural, spectroscopic, topological and electronic properties of L-histidinium-L-tartrate hemihydrate: Nonlinear optical organic … N Kanagathara, VJ Thanigaiarasu, V Ragavendran, MK Marchewka, ... Heliyon 9 (4) , 2023 2023 Citations: 16
An insight into the conformal flexibility and vibrational behavior of 2-nitroso-1-naphthol: A density functional theory approach V Ragavendran, S Muthunatesan Spectroscopy Letters 49 (4), 294-303 , 2016 2016 Citations: 15
Crystal structure, spectral investigations, DFT and antimicrobial activity of brucinium benzilate (BBA) C Karnan, KS Nagaraja, S Manivannan, A Manikandan, V Ragavendran Journal of Molecular Modeling 27 (8), 223 , 2021 2021 Citations: 14
Structural and Vibrational Investigation of Benzil‐(1, 2‐Diphenylethane‐1, 2‐Dione): Experimental and Theoretical Studies N Kanagathara, K Senthilkumar, V Sabari, V Ragavendran, S Elangovan Journal of Chemistry 2022 (1), 5968496 , 2022 2022 Citations: 13
Effect of annealing on the structural and optical properties of laser ablated nanostructured barium tungstate thin films VS Kavitha, RR Krishnan, RS Sreedharan, RJ Bose, NV Pillai, V Ganesan, ... Materials Science in Semiconductor Processing 37, 159-170 , 2015 2015 Citations: 13
Quantum chemical computational studies of 1, 3-diammonium propylarsenate: a semi organic crystalline salt K Senthilkumar, N Kanagathara, V Ragavendran, V Natarajan, ... Inorganic and Nano-Metal Chemistry 52 (10), 1352-1363 , 2022 2022 Citations: 11
Reinforcement of ‘imine-hydroxyl chelation pocket’by encapsulating into the β-CD cavity for the sterically protective detection of Al3+ K Sivakumar, G Parinamachivayam, MM Krishnan, V Ragavendran, ... Journal of Molecular Liquids 323, 114949 , 2021 2021 Citations: 10
Syntheses, quantum mechanical modeling, biomolecular interaction and in vitro anticancer–Tubulin activity of thiosemicarbazones JS Xavier, K Jayabalan, V Ragavendran, A NityanandaShetty Bioorganic Chemistry 102, 104081 , 2020 2020 Citations: 10
Synthesis and characterization of cinnamylidene acetone–A study on tuning of band gap by vibrational spectroscopic tools V Ragavendran, S Muthunatesan, V Santhanam, B Arsic Journal of Molecular Structure 1184, 593-603 , 2019 2019 Citations: 10
New insights into the vibrational spectroscopic investigation on S-cis & S-trans forms of 2-Methoxy benzoyl chloride V Ragavendran, S Muthunatesan Vibrational Spectroscopy 92, 35-45 , 2017 2017 Citations: 10
Structural and computational insights into a benzene sulfonamide derivative: Hirshfeld surface, energy framework, optical, NBO, electronic and biological properties N Kanagathara, G Dhanalakshmi, E Mohanapriya, P Manikandan, ... Journal of Molecular Structure 1330, 141347 , 2025 2025 Citations: 9
Synthesis, crystal growth, crystal investigation, optical, thermal, DFT and NLO studies of 2-methylanilinium-4-methylbenzenesulfonate organic single crystal: Experimental and … C Raveendiran, P Prabukanthan, V Ragavendran, G Harichandran, ... Materials Today: Proceedings 66, 1769-1778 , 2022 2022 Citations: 7
New insights into the conformal stability, influence of hydrogen bonding and vibrational analysis of 2, 6-and 3, 5-dihydroxyacetophenone–A comparative study V Ragavendran, S Muthunatesan Journal of Molecular Structure 1125, 413-425 , 2016 2016 Citations: 7
