Hydrogen bonded R22 (8) graph set in inducing charge transfer mechanism in guanidinium-3, 5-dinitrobenzoate: a combined experimental, theoretical and Hirshfeld surface study P Muthuraja, TJ Beaula, T Shanmugavadivu, VB Jothy, M Dhandapani Journal of Molecular Structure 1137, 649-662, 2017 | 45 | 2017 |
Molecular properties, crystal structure, Hirshfeld surface analysis and computational calculations of a new third order NLO organic crystal, 2-aminopyridinium benzilate S Madhankumar, P Muthuraja, M Dhandapani Journal of Molecular Structure 1181, 118-130, 2019 | 43 | 2019 |
Single crystal X-ray diffraction and Hirshfeld surface analyses of supramolecular assemblies in certain hydrogen bonded heterocyclic organic crystals P Muthuraja, M Sethuram, T Shanmugavadivu, M Dhandapani Journal of Molecular Structure 1122, 146-156, 2016 | 43 | 2016 |
Theoretical and experimental evaluation of a new organic proton transfer crystal aminoguanidinium p-nitrobenzoate monohydrate for optical limiting applications T Shanmugavadivu, K Senthilkumar, M Dhandapani, P Muthuraja, ... Journal of Physics and Chemistry of Solids 111, 82–94, 2017 | 39 | 2017 |
Ligand based pharmacophoric modelling and docking of bioactive pyrazolium 3-nitrophthalate (P3NP) on Bacillus subtilis, Aspergillus fumigatus and Aspergillus niger … S Balachandar, M Sethuram, P Muthuraja, T Shanmugavadivu, ... Journal of Photochemistry and Photobiology B: Biology 163, 352-365, 2016 | 36 | 2016 |
Hydrogen bonding interactions and supramolecular assemblies in 2-amino guanidinium 4-methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations P Muthuraja, TJ Beaula, S Balachandar, VB Jothy, M Dhandapani Journal of Molecular Structure 1146, 723-734, 2017 | 35 | 2017 |
Biological and spectral studies of O-Tolyl Biguanide: Experimental and theoretical approach TJ Beaula, P Muthuraja, M Sethuram, M Dhandapani, VK Rastogi, ... Journal of Molecular Structure 1128, 290-299, 2017 | 35 | 2017 |
Synthesis, spectral, thermal, optical, electrical, mechanical and structural characterisations and quantum chemical study of 4-nitrophenol: urea molecular adduct crystals P Muthuraja, M Sethuram, MS Raman, M Dhandapani, G Amirthaganesan Journal of Molecular Structure 1053, 5-14, 2013 | 33 | 2013 |
Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate S Madhankumar, P Muthuraja, M Dhandapani Journal of Molecular Structure 1201, 127151, 2020 | 32 | 2020 |
Effect of charge transfer with spectral analysis on the antibacterial compound 4-(Dimethyl amino) pyridine: 3, 5-Dinitrobenzoic acid: Experimental and theoretical perspective TJ Beaula, P Muthuraja, M Dhandapani, VB Jothy Journal of Molecular Structure 1171, 511-526, 2018 | 22 | 2018 |
Influence of intramolecular hydrogen bonding interaction on the molecular properties of Np-tolyl-5-oxo pyrrolidine-3-carboxylic acid: a theoretical and experimental study P Muthuraja, T Shanmugavadivu, TJ Beaula, VB Jothy, M Dhandapani Chemical Physics Letters 691, 114-121, 2018 | 22 | 2018 |
Hydrogen bonding interactions on 1H-1, 2, 3-triazole based crystals: Featuring experimental and theoretical analysis P Muthuraja, TJ Beaula, M Sethuram, VB Jothy, M Dhandapani Current Applied Physics 18 (6), 774-784, 2018 | 19 | 2018 |
Structure-activity relationship of pyrazolo pyrimidine derivatives as inhibitors of mitotic kinesin Eg5 and anticancer agents P Muthuraja, V Veeramani, S Prakash, M Himesh, ... Bioorganic Chemistry 84, 493-504, 2019 | 18 | 2019 |
Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach TJ Beaula, P Muthuraja, M Dhandapani, IH Joe, VK Rastogi, VB Jothy Chemical Physics Letters 645, 59-70, 2016 | 17 | 2016 |
Supramolecular network through NH… O, OH… O and CH… O hydrogen bonding interaction and density functional theory studies of 4-methylanilinium-3-carboxy-4 … M Rajkumar, P Muthuraja, M Dhandapani, A Chandramohan Journal of Molecular Structure 1153, 192-201, 2018 | 16 | 2018 |
Controlled meta-Selective C–H Mono- and Di-Olefination of Mandelic Acid Derivatives P Muthuraja, R Usman, R Sajeev, P Gopinath Organic Letters 23 (15), 6014-6018, 2021 | 14 | 2021 |
Pesticidal compound Pirimicarb: Spectral analysis, DFT computations, molecular docking study and in vitro bioactivity P Divya, P Muthuraja, M Dhandapani, VB Jothy Chemical Physics Letters 706, 295-302, 2018 | 14 | 2018 |
Hydrogen bonding interactions on molecular properties of pesticidal compound 4-nitrophthalic acid: experimental density functional theory computations, electron localized … P Divya, P Muthuraja, M Dhandapani, VB Jothy Spectroscopy Letters 55 (5), 362-372, 2022 | 13 | 2022 |
Synthesis, crystal structure, optical, thermal, mechanical, dielectric and DFT studies of 3, 5-dimethylprazole: 1, 3, 5-benzene tricarboxylic acid molecular adduct crystal M Rajkumar, P Muthuraja, M Dhandapani, A Chandramohan Optics & Laser Technology 124, 105970, 2020 | 11 | 2020 |
Physico-chemical characterization and computational studies of a new organic adduct 3-amino-2-chloropyridine: Benzilic acid, crystal for third order harmonic generation S Madhankumar, P Muthuraja, M Dhandapani Journal of Molecular Structure 1203, 127415, 2020 | 11 | 2020 |