| The Role of π-linkers in tuning optoelectronic properties of Triphenylamine derivatives for solar cell applications - A DFT/TDDFT study P Murugesan, A Kathiravan, RVSJ MADHAVAN Physical Chemistry Chemical Physics 19, 6153-6163, 2017 | 72 | 2017 |
| Unravelling the effect of anchoring groups on the ground and excited state properties of pyrene using computational and spectroscopic methods A Kathiravan, M Panneerselvam, K Sundaravel, N Pavithra, V Srinivasan, ... Physical Chemistry Chemical Physics 18 (19), 13332-13345, 2016 | 52 | 2016 |
| A combined experimental and computational characterization of D–π–A dyes containing heterocyclic electron donors V Srinivasan, M Panneerselvam, N Pavithra, S Anandan, K Sundaravel, ... Journal of Photochemistry and Photobiology A: Chemistry 332, 453-464, 2017 | 25 | 2017 |
| Substituent Effect on the Photophysics and ESIPT Mechanism of N,N′-Bis(salicylidene)-p-phenylenediamine: A DFT/TD-DFT Analysis N Johnee Britto, M Panneerselvam, M Deepan Kumar, A Kathiravan, ... Journal of Chemical Information and Modeling 61 (4), 1825-1839, 2021 | 20 | 2021 |
| Computational Unravelling of the Role of Alkyl Groups on the Host‐Guest Complexation of Pillar [5] arenes with Neutral Dihalobutanes M Panneerselvam, MD Kumar, M Jaccob, RV Solomon ChemistrySelect 3 (4), 1321-1334, 2018 | 19 | 2018 |
| A diminutive modification in arylamine electron donors: Synthesis, photophysics and solvatochromic analysis–towards the understanding of dye sensitized solar cell performances V Srinivasan, M Panneer, M Jaccob, N Pavithra, S Anandan, A Kathiravan Physical Chemistry Chemical Physics 17 (43), 28647-28657, 2015 | 19 | 2015 |
| Crystal growth and characterization of 4-[4-(4-dimethylamino-phenyl) buta-1, 3-dienyl]-1-methyl pyridinium iodide for higher order non-linear applications SJ Sundaram, JV Ramaclus, M Panneerselvam, M Jaccob, P Antony, ... Optics & Laser Technology 121, 105831, 2020 | 18 | 2020 |
| DFT-TDDFT framework of diphenylamine based mixed valence compounds for optoelectronic applications–Structural modification of π-acceptors AP Bella, M Panneerselvam, SA Vedha, M Jaccob, RV Solomon, ... Computational Materials Science 162, 359-369, 2019 | 14 | 2019 |
| Role of Anation on the Mechanism of Proton Reduction Involving a Pentapyridine Cobalt Complex: A Theoretical Study M Panneerselvam, M Jaccob Inorganic Chemistry 57 (14), 8116-8127, 2018 | 7 | 2018 |
| Experimental and theoretical analysis of substituent effect on charge transfer complexes of iodine and some alkylbenzenes in n-hexane solution at 303 K AJA Baskar, AS Rajpurohit, M Panneerselvam, M Jaccobb, D RoopSingh, ... Chemical Data Collections 7, 80-92, 2017 | 6 | 2017 |
| Halogen-based 17β-HSD1 inhibitors: insights from DFT, docking, and molecular dynamics simulation studies A Kulandaisamy, M Panneerselvam, RV Solomon, M Jaccob, ... Molecules 27 (12), 3962, 2022 | 5 | 2022 |
| Acoustical and quantum computational investigations on the stacking phenomenon of aqueous norfloxacin antibiotic PE Akilandeswari, B Gayathri, M Panneerselvam, M Jaccob, MGM Kamil, ... Journal of Molecular Liquids 221, 1133-1139, 2016 | 3 | 2016 |
| Delineating the effect of substituent and π-bridge flip on the photophysical properties of pyrene derivatives: answers from DFT/TD-DFT calculations M Panneerselvam, A Kathiravan, N Johnee Britto, SM Krishnan, ... Journal of Materials Science 57 (23), 10724-10735, 2022 | 1 | 2022 |
| Application of ultrasound in assessing strength of molecular non-covalent interactions in ternary liquid mixtures AJA Baskar, AS Rajpurohit, M Panneerselvam, DR Singh, V Kannappan, ... Journal of Molecular Liquids 222, 703-710, 2016 | 1 | 2016 |
| Exploring electron donor and acceptor effects: DFT analysis of ESIPT/GSIPT in 2-(oxazolinyl)-phenols for photophysical and luminophore enhancement M Panneerselvam, RR Francis, S Nathiya, RV Solomon, M Jaccob, ... The Journal of Chemical Physics 160 (17), 2024 | | 2024 |
| Structure and interaction in 2D organized assemblies of cationic lipids with tryptophan: an experimental and computational investigation B Roy, M Panneerselvam, A Patnaik New Journal of Chemistry 48 (21), 9814-9829, 2024 | | 2024 |
| A theoretical study on radical scavenging activity of phenolic derivatives naturally found within Alternaria alternata extract AB Abraham, M Panneerselvam, C Ebenezer, LT Costa, RV Solomon Organic & Biomolecular Chemistry, 2024 | | 2024 |
| Reciprocity of C [double bond, length as m-dash] O⋯ π interactions with the dominant anion–π on fullerene (C 60)–amine-based organocatalysts: a mechanistic elucidation for … M Panneerselvam, H Akash, A Patnaik Physical Chemistry Chemical Physics 25 (15), 10647-10660, 2023 | | 2023 |
| Quantum mechanical study on complexation phenomenon of pillar [5] arene towards neutral dicyanobutane M Panneerselvam, M Deepan Kumar, P Nisanth, M Jaccob, ... Supramolecular Chemistry 33 (11), 634-646, 2021 | | 2021 |
Dr. M. Jaccob M.Sc. Ph.D. FASChAssistant Professor, Department of Chemistry, Loyola CollegeVerified email at loyolacollege.edu
