| Group13 Monohalides [AX (A=B, Al, Ga, In; X= Halogens)] as Alternative Ligands for Carbonyl in Organometallics: Electronic Structure and Bonding Analysis F Paularokiadoss, TC Jeyakumar, R Thomas, A Sekar, D Bhakiaraj Computational Theoretical Chemistry, 2022 | 20 | 2022 |
| A DFT study on structural and bonding analysis of transition-metal carbonyls with terminal haloborylene ligands [M (CO) 3 (BX)](M= Ni, Pd, and Pt; X= F, Cl, Br, and I) F Paularokiadoss, A Sekar, TC Jeyakumar Computational and Theoretical Chemistry 1177, 112750, 2020 | 19 | 2020 |
| Coordination of indium monohalide with group-10 metal carbonyls [TM (CO) 3 (InX)]: a DFT study F Paularokiadoss, S Alagan, TC Jeyakumar Chemical Papers 74, 311-324, 2020 | 14 | 2020 |
| Theoretical studies of group 10 metal gallylene complexes [TM (CO) 3 (GaX)] F Paularokiadoss, TA Sandosh, A Sekar, TC Jeyakumar Computational and Theoretical Chemistry 1197, 113139, 2021 | 13 | 2021 |
| Chemistry of group‑10 metals monohaloalumylene complexes [TM(CO)3AlX]: a DFT study TCJ Alagan Sekar, Francisxavier Paularokiadoss, Selvaraj Immanuel Theoretical Chemistry Accounts 140 (101), 2021 | 10 | 2021 |
| Experimental and theoretical studies of novel Schiff base based on diammino benzophenone with formyl chromone – BPAMC TCJ Antonyraj Innasiraj, Balamurugan Anandhi, Yakkobu Gnanadeepam, NiloyDas ... Journal of Molecular Structure 1265, 133450, 2022 | 9 | 2022 |
| Synthesis, structure, DNA/BSA binding, antibacterial and molecular docking studies of tetradentate ONNO schiff base metal complexes TCJ A. Salomanravi, P. Muthuselvan, Francisxavier Paularokiadoss Journal of Molecular Structure 1287, 135570, 2023 | 7 | 2023 |
| A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M (CO)3SiX] (M = Ni, Pd, and Pt; X = O, S … TCJ Palani Vetri, Francisxavier Paularokiadoss, Christian A. Celaya, L. Mary ... Computational and Theoretical Chemistry 1226, 114214, 2023 | 6 | 2023 |
| Structural Analysis and Chemical Descriptors Analysis of 4-Aminopyridine adsorbed on M4 (M= Co, Ni and Cu) Clusters: A DFT study TCJ Francixavier Paularokiadoss, Anushka Pahuja Vietnam Journal of Chemistry 60 (3), 376-388, 2022 | 6 | 2022 |
| Biological synthesis and characterization of zinc oxide nanoparticles (ZnONPs) from Anisomeles malabarica FP Alagan Sekar,Palaniyapillai Jothi Murugan Vietnam Journal of Chemistry 60 (3), 2022 | 3 | 2022 |
| Synthesis, spectral characterization, intramolecular interactions, electronic nonlinear optical response and molecular docking studies of ethyl-6-methyl-4-(3-(1-methyl-1H … SA Chinnapp Adaikalaraj, S. Manivarman, A. Dhandapani, Francisxavier ... Journal of Molecular Structure 1254, 132387, 2022 | 3 | 2022 |
| Exploring the Fe doped borazine system as a promising CFC adsorbent: A DFT study F Paularokiadoss, C Adaikalaraj, MS Marianathan, G Anand, ... Computational and Theoretical Chemistry 1217, 113903, 2022 | 2 | 2022 |
| Synthesis and characterization of ethyl-6-methyl-2-oxo-4-(3-(2,4,5-trifluorobenzamido)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate. A DFT approach FP C. Adaikalaraj, D. Bhakiaraj, Radhakrishnan Nandini Asha ... Vietnam Journal of Chemistry 60 (2), 2022 | 2 | 2022 |
| Synthesis, reaction pathways, homa, TG/DSC, spectroscopic and quantum computational analysis of (2E)-3-[3-(benzyloxy) phenyl]-l-phenyl-2-propen-l-one K Anbukarasi, S Xavier, J Jamalis, S Sebastian, F Paularokiadoss, ... Journal of Molecular Structure 1249, 131580, 2022 | 2 | 2022 |
| DFT studies on the adsorption of CFC over the copper embedded nitrogen doped graphene F Paularokiadoss, A Sekara, TC Jeyakumarc J. emerg. technol. innov. res 6, 276-288, 2019 | 2 | 2019 |
| Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins AV Ilavarasi, F Paularokiadoss, LM Novena, T Pooventhiran, S Erkan, ... Chemical Physics Impact 7, 100289, 2023 | 1 | 2023 |
| Facile Cetyl Trimethyl Ammonium Bromide-assisted Hydrothermal Synthesis of Spinel NiCo2O4 Nanoplates as an Electrode Material for Supercapacitor Application TA Sandosh, A Simi, FPA Doss, C Adaikalaraj, SA Nikson Journal of Materials Engineering and Performance 29, 8395-8405, 2020 | 1 | 2020 |
| An efficient synthesis, structural analysis, and computational studies of benzothiazole derivatives activated by formic acid under solvent-free conditions KA Abdalkarim, SJ Mohammed, AH Hasan, KM Omer, F Paularokiadoss, ... Chemical Physics Impact 8, 100402, 2024 | | 2024 |
| Unraveling the secrets of molecular and electronic structures of [Fe (CO) 4 (GeX)]: A DFT study S Immanuel, A Abimathi, S Manivarman, R Rajaram, C Adaikalaraj, ... Chemical Physics Impact 8, 100415, 2024 | | 2024 |
| Organometallic tin monochalcogenides [SnX (X= O, S, Se, and Te)] as alternative ligands for carbonyls: A DFT study S Immanuel, S Nishalini, S Manivarman, F Paularokiadoss, D Bhakiaraj, ... Computational and Theoretical Chemistry, 114514, 2024 | | 2024 |
Thayalaraj Christopher JeyakumarDepartment of Chemistry, The American College, Madurai, India-625002Verified email at americancollege.edu.in
