| DFT computations and spectroscopic analysis of a pesticide: Chlorothalonil DA Dhas, IH Joe, SDD Roy, TH Freeda Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 (1 …, 2010 | 76 | 2010 |
| DFT computation and experimental analysis of vibrational and electronic spectra of phenoxy acetic acid herbicides DA Dhas, IH Joe, SDD Roy, S Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 108, 89-99, 2013 | 39 | 2013 |
| Spectroscopic analysis and charge transfer interaction studies of 4-benzyloxy-2-nitroaniline insecticide: a density functional theoretical approach DA Dhas, IH Joe, SDD Roy, S Balachandran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 583-596, 2015 | 33 | 2015 |
| Structural insights, spectral, flourescence, Z-scan, CH… O/NH… O hydrogen bonding and AIM, RDG, ELF, LOL, FUKUI analysis, NLO activity of N-2 (Methoxy phenyl) acetamide MJ Pramila, DA Dhas, IH Joe, S Balachandran, G Vinitha Journal of Molecular Structure 1272, 134140, 2023 | 32 | 2023 |
| Experimental and theoretical spectroscopic analysis, hydrogen bonding, reduced density gradient and antibacterial activity study on 2-Phenyl quinoline alkaloid J Priscilla, DA Dhas, IH Joe, S Balachandran Chemical Physics 536, 110827, 2020 | 19 | 2020 |
| Spectroscopic investigation and hydrogen-bonding analysis of triazinones DA Dhas, IH Joe, SDD Roy, S Balachandran Journal of molecular modeling 18, 3587-3608, 2012 | 19 | 2012 |
| Spectroscopic, quantum chemical, hydrogen bonding, reduced density gradient analysis and anti-inflammatory activity study on piper amide alkaloid piperine and wisanine J Priscilla, DA Dhas, IH Joe, S Balachandran Journal of Molecular Structure 1225, 129146, 2021 | 14 | 2021 |
| Molecular structure, spectroscopic elucidation (FT-IR, FT-Raman, UV-Visible and NMR) with NBO, ELF, LOL, RDG, Fukui, drug likeness and molecular docking analysis on dimethomorph W Abisha, DA Dhas, S Balachandran, IH Joe Polycyclic Aromatic Compounds 43 (5), 3988-4031, 2023 | 12 | 2023 |
| Crystal Growth, Structural, Vibrational, Effects of Hydrogen Bonding (CH… O and CH… N), Chemical Reactivity, Antimicrobial Activity, Inhibitory Effects and Molecular Dynamic … E Bravanjalin Subi, D Arul Dhas, S Balachandran, I Hubert Joe Polycyclic Aromatic Compounds 43 (3), 2690-2744, 2023 | 11 | 2023 |
| Nonlinear optical activity of piperazine-1, 4-diium bis (sulfanilate) compound AD Steffy, DA Dhas, IH Joe Computational and Theoretical Chemistry 1217, 113896, 2022 | 8 | 2022 |
| Spectroscopic (FT-IR, FT-Raman) investigation, topological (QTAIM, RDG, ELF) analysis, drug-likeness and anti-inflammatory activity study on 2-methylaminobenzoic acid alkaloid J Priscilla, DA Dhas, IH Joe, S Balachandran Journal of Molecular Structure 1273, 134261, 2023 | 7 | 2023 |
| Spectroscopic investigation and non linear optical activity study on 7, 7, 8, 8-tetra cyano quino dimethane VK Suma, DA Dhas, DPL Renj, S Balachandran, IH Joe, S Chitrambalam Chemical Data Collections 21, 100220, 2019 | 7 | 2019 |
| Synthesis, characterization, crystal structure and theoretical studies of 4-[(E)-(3-chloro-4-hydroxyphenyl) diazenyl]-1, 5-dimethyl-2-phenyl-1, 2-dihydro-3H-pyrazol … LS Athira, CSN Lakshmi, S Balachandran, DA Dhas, IH Joe Journal of Molecular Structure 1148, 185-195, 2017 | 7 | 2017 |
| Synthesis, characterization and biological evaluation of novel 2-aminopridinium nicotinate invitro antifungal, insilico ADME and molecular docking studies W Abisha, DA Dhas, IH Joe, B Gunasekaran, S Sindhusha Journal of Molecular Structure 1277, 134794, 2023 | 6 | 2023 |
| Structural, spectroscopic, and CH… O hydrogen bonding interaction on structure (monomer and dimer) vibrational spectroscopic, Fukui, NCI, AIM, and RDG analysis molecular … DA Dhas, S Balachandran Polycyclic Aromatic Compounds 43 (9), 8494-8543, 2023 | 5 | 2023 |
| Synthesis, structure, spectroscopic, topological analysis of novel intermolecular NH… N and NH… O hydrogen bonded NLO active melaminium cyanoacetate single crystal … NFF Frederic, DA Dhas, IH Joe, B Gunasekaran, S Sindhusha, G Vinitha Journal of Molecular Structure 1274, 134515, 2023 | 5 | 2023 |
| Crystal growth and vibrational spectroscopic studies on the novel nlo active piperazine-1, 4-diium 3-phenyl-2-propenoate single crystal by experimental and computational technique AD Steffy, DA Dhas, IH Joe, B Gunasekaran, G Vinitha Journal of Molecular Structure 1287, 135655, 2023 | 4 | 2023 |
| Experimental and theoretical investigation on piperazine-1, 4-diium bis (2, 5-dichlorophenoxyacetate) single crystal: A potential candidate for nonlinear optical applications AD Steffy, DA Dhas, IH Joe, B Gunasekaran, G Vinitha Journal of Molecular Structure 1285, 135520, 2023 | 4 | 2023 |
| Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques GPS Mol, DDA Dhas, IH Joe, S Balachandran Chemical Physics Letters 654, 125-134, 2016 | 4 | 2016 |
| Synthesis, Structural, and Quantum Chemical Spectroscopic, Hydrogen Bonding, and Molecular Docking Investigation of Antifungal Compound Pyrazole-Pyrazolium Picrate W Abisha, DA Dhas, S Balachandran, IH Joe Polycyclic Aromatic Compounds 43 (9), 8455-8481, 2023 | 3 | 2023 |
