| Regular square planer bis-(4, 4, 4-trifluoro-1-(thiophen-2-yl) butane-1, 3-dione)/copper (II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism … MK Hema, CS Karthik, I Warad, NK Lokanath, A Zarrouk, K Kumara, ... Journal of Molecular Structure 1157, 69-77, 2018 | 25 | 2018 |
| XRD/DFT/HSA-interactions in Cu (II) Cl/phen/ß-diketonato complex: Physicochemical, solvatochromism, thermal and DNA-binding analysis MK Hema, I Warad, CS Karthik, A Zarrouk, K Kumara, KJ Pampa, P Mallu, ... Journal of Molecular Structure 1210, 128000, 2020 | 23 | 2020 |
| Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis TN Lohith, MK Hema, CS Karthik, S Sandeep, L Mallesha, NS Alsaiari, ... Journal of Molecular Structure 1266, 133378, 2022 | 22 | 2022 |
| Synthesis of novel Cubane [Ni4 (O∩ O) 4 (OCH3) 4 (OOH) 4] cluster: XRD/HSA-interactions, spectral, DNA-binding, docking and subsequent thermolysis to NiO nanocrystals MK Hema, CS Karthik, NK Lokanath, P Mallu, A Zarrouk, KSM Salih, ... Journal of Molecular Liquids 315, 113756, 2020 | 20 | 2020 |
| Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines KL Jyothi, K Kumara, MK Hema, R Gautam, TNG Row, NK Lokanath Journal of Molecular Structure 1207, 127828, 2020 | 19 | 2020 |
| Solvent induced mononuclear and dinuclear mixed ligand Cu (II) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies MK Hema, CS Karthik, KJ Pampa, P Mallu, NK Lokanath New Journal of Chemistry 44 (41), 18048-18068, 2020 | 19 | 2020 |
| N-[2-(5-bromo-2-chloro-pyrimidin-4-yl) thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular … TN Lohith, MK Hema, CS Karthik, S Sandeep, L Mallesha, P Mallu, ... Journal of Molecular Structure 1267, 133476, 2022 | 18 | 2022 |
| Post-synthetic modification of supramolecular assemblies of β-diketonato Cu (II) complexes: comparing and contrasting the molecular topology by crystal structure and quantum … KJ Pampa, CS Karthik, MK Hema, P Mallu, NK Lokanath CrystEngComm 23 (24), 4344-4369, 2021 | 16 | 2021 |
| Synthesis, crystal structure, in-silico ADMET, molecular docking and dynamics simulation studies of thiophene-chalcone analogues S Nanjundaswamy, MK Hema, CS Karthik, JR Rajabathar, S Arokiyaraj, ... Journal of Molecular Structure 1247, 131365, 2022 | 15 | 2022 |
| μ-phenoxide bridged mixed ligand Cu (II) complex: synthesis, 3D supramolecular architecture, DFT, energy frameworks and antimicrobial studies HM Krishnegowda, CS Karthik, PJ Kudigana, P Mallu, LK Neratur Polyhedron 185, 114571, 2020 | 15 | 2020 |
| Synthesis and structural studies of 1-phenyl-1, 3-butanedione copper (II) complexes as an excellent antimicrobial agent against methicillin-resistant Staphylococcus aureus HM Krishnegowda, CS Karthik, MH Marichannegowda, K Kumara, ... Inorganica Chimica Acta 484, 227-236, 2019 | 15 | 2019 |
| 4, 4, 4-trifluoro-1-phenylbutane-1, 3-dione metal [Cu (II) and Ni (II)] complexes as an superlative antibacterial agent against MRSA: Synthesis, structural quantum-chemical and … MK Hema, CS Karthik, KJ Pampa, P Mallu, NK Lokanath Journal of Molecular Structure 1243, 130774, 2021 | 14 | 2021 |
| Solvent induced 4, 4, 4-trifluoro-1-(2-naphthyl)-1, 3-butanedione Cu (II) complexes: Synthesis, structure, DFT calculation and biocidal activity MK Hema, CS Karthik, KJ Pampa, HM Manukumar, P Mallu, I Warad, ... Polyhedron 168, 127-137, 2019 | 13 | 2019 |
| N, N'-bis (2-bromobenzylidene)-2, 2'-diaminodiphenyldisulfide (BBDD): Insights of crystal structure, DFT, QTAIM, PASS, ADMET and molecular docking studies J Jayashankar, MK Hema, G Mahmoudi, A Masoudiasl, M Dušek, ... Journal of Molecular Structure 1268, 133657, 2022 | 12 | 2022 |
| 4, 4, 4-Trifluoro-1-(thiophen-2-yl) butane-1, 3-dione nickel (II) complex: Synthesis, structure, quantum chemical and DNA binding studies MK Hema, RRA Renganathan, SN Swamy, CS Karthik, KJ Pampa, ... Journal of Molecular Structure 1202, 127277, 2020 | 11 | 2020 |
| Structural-property relationship in halogen-bonded Schiff base derivative: Crystal structure, computational and SARS-CoV-2 docking studies AHU Kumar, KJ Pampa, K Kumara, MK Hema, NV Harohally, ... Journal of Molecular Structure 1265, 133409, 2022 | 10 | 2022 |
| Analysis of supramolecular self-assembly of two chromene derivatives: Synthesis, crystal structure, Hirshfeld surface, quantum computational and molecular docking studies TC Raveesha, MK Hema, KJ Pampa, PG Chandrashekara, K Mantelingu, ... Journal of Molecular Structure 1225, 129104, 2021 | 10 | 2021 |
| Synthesis, structure, quantum computational and biological studies of novel thiophene derivatives B Pramodh, KNC Prathap, MK Hema, I Warad, NK Lokanath Journal of Molecular Structure 1229, 129587, 2021 | 8 | 2021 |
| N-(4-bromobenzylidene)-2, 3-dihydrobenzo [b][1, 4] dioxin-6-amine: Synthesis, crystal structure, docking and in-vitro inhibition of PLA2 MK Hema, RR ArunRenganathan, S Nanjundaswamy, CS Karthik, ... Journal of Molecular Structure 1218, 128441, 2020 | 8 | 2020 |
| Structural elucidation of 1: 4: 4 stochiometric form of thymine–gallic acid cocrystal hydrate: Hirshfeld surface analysis, 3D energy framework, DFT calculations, and SARS CoV-2 … KL Jyothi, MK Hema, K Kumara, TNG Row, NK Lokanath Journal of Molecular Structure 1280, 135072, 2023 | 6 | 2023 |
Lokanath N. K.SKKU, South Korea, RIKEN-SPring-8, Japan, University of MysoreE-mail confirmado em physics.uni-mysore.ac.in
