| Structural and spectroscopic characterizations of boron doped TiO2–CeO2 nanocomposite synthesized by solution combustion technique for photocatalytic applications | Journal of molecular structure | 519 days | save |  |  |  |
| Probing CAS database as prospective antiviral agents against SARS-CoV-2 main protease | Journal of molecular structure | 519 days | save |  |  |  |
| Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone | Journal of molecular structure | 519 days | save |  |  |  |
| Crystallographic effects of Boron doping into Sm-Ca-Cu-O Ceramic | Journal of molecular structure | 521 days | save |  |  |  |
| Selectivity control in the reaction between 2-hydroxyarylaldehydes and 4-hydroxycoumarin. Antioxidant activities and computational studies of the formed products | Journal of molecular structure | 521 days | save |  |  |  |
| Electrosynthesis and characterization of a new semi-conducting oligomer deriving from a disubstituted chalcone: 4-dimethylamino -4′-methoxychalcone | Journal of molecular structure | 521 days | save |  |  |  |
| Synthesis, structural characterization and biological activities of transition metal complexes derived from 2,4-dihydroxybenzaldehyde n(4)-methyl(phenyl)thiosemicarbazone | Journal of molecular structure | 522 days | save |  |  |  |
| Synthesis, characterization and DFT investigation of new metal complexes of Ni(II), Mn(II) and VO(IV) containing N,O-donor Schiff base ligand | Journal of molecular structure | 523 days | save |  |  |  |
| A matrix isolation and Ab initio study on C2H6…HCN complex: An unusual example of hydrogen bonding | Journal of molecular structure | 523 days | save |  |  |  |
| Comparative in vitro evaluation of glimepiride containing nanosuspension drug delivery system developed by different techniques | Journal of molecular structure | 523 days | save |  |  |  |
| Structural characterization, spectroscopic properties, and Hirshfeld surface analysis of two copper(II) complexes with 3,14-dimethyl and 3,14-diethyl-2,6,13,17-diazadiazoniatricyclo[16.4.0.07,12]docosa-2,13-diene | Journal of molecular structure | 523 days | save |  |  |  |
| Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2,1-benzothiazine based hydrazone derivatives | Journal of molecular structure | 523 days | save |  |  |  |
| New Schiff-base ligands containing thiophene terminals: Synthesis, characterization and biological activities | Journal of molecular structure | 523 days | save |  |  |  |
| N-heterocyclic bis-carbene palladium complexes derived from functionalized naphthalimides – Synthesis, Structure elucidation and DFT study | Journal of molecular structure | 523 days | save |  |  |  |
| Thermal properties of the hybrid compound [Cu(en)2(VO3)2]•3H2O — phase analysis upon heating and cooling. Crystal structure characterization of its two polymorphic modifications | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis and biological activity of pyrimidines-containing hybrids: Focusing on pharmacological application | Journal of molecular structure | 523 days | save |  |  |  |
| Facile sonochemical synthesis of nano-sized cobalt(III) complex salt and their application as a mordant dye | Journal of molecular structure | 523 days | save |  |  |  |
| Raman scattering and fluorescent behaviors in Ba0.96Nd0.0267Ti(1-x)WxO3 (x = 0.00 and x = 0.05) ceramics | Journal of molecular structure | 523 days | save |  |  |  |
| Two new copper (II) carboxylate complexes based on N,N,N',N'-tetramethylethyleneamine: Synthesis, crystal structures, spectral properties, dft studies and hirshfeld surface analysis | Journal of molecular structure | 523 days | save |  |  |  |
| Coumarin-triazole hybrids: Design, microwave-assisted synthesis, crystal and molecular structure, theoretical and computational studies and screening for their anticancer potentials against PC-3 and DU-145 | Journal of molecular structure | 523 days | save |  |  |  |
| Cobalt(II) complexes with small variations in the heterocycle ligand, crystal structure and DFT calculations | Journal of molecular structure | 523 days | save |  |  |  |
| Fluorescence chemosensor for acetate ion and fluorine ion based on 1,2,4-triazolyl substituted pentaphenylpyridinium | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis, characterization and in vitro screening for anticancer potential of Mn(II), Co(II), Cu(II), Zn(II), and Pt(II) methoxyphenyl dithiocarbamato complexes | Journal of molecular structure | 523 days | save |  |  |  |
| Design and synthesis of new benzopyrimidinone derivatives: α-amylase inhibitory activity, molecular docking and DFT studies | Journal of molecular structure | 523 days | save |  |  |  |
| Corrigendum to synthesis and structural characterization of pyridine-based Mn(III), Fe(III), and Co(III) complexes as SOD mimics and BSA binding studies | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis and characterization of physicochemical properties of imidazolium-based ionic liquids and their application for simultaneous determination of sulfur compounds | Journal of molecular structure | 523 days | save |  |  |  |
| Crystal structure determination and computational studies of 1,4-dihydropyridine derivatives as selective T-type calcium channel blockers | Journal of molecular structure | 523 days | save |  |  |  |
| Evidence of human metabolites of omeprazole and its structure elucidation by using HPLC-MS | Journal of molecular structure | 523 days | save |  |  |  |
| 2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding: Formation of supramolecular hybrids with organic iodide salts in solid state | Journal of molecular structure | 523 days | save |  |  |  |
| Facile synthesis and sulfonylation of 4-aminopyrazoles | Journal of molecular structure | 523 days | save |  |  |  |
| In silico design of novel diamino-quinoline-5,8‑dione derivatives as putative inhibitors of NAD(P)H:Quinone oxidoreductase 1 based on docking studies and molecular dynamics simulations | Journal of molecular structure | 523 days | save |  |  |  |
| Investigation of the newly characterized baimantuoluoamide a and baimantuoluoamide b alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking and molecular dynamics simulations | Journal of molecular structure | 523 days | save |  |  |  |
| A review of the nanomaterials use for the diagnosis and therapy of salmonella typhi | Journal of molecular structure | 523 days | save |  |  |  |
| Fabrication of Cu-rich CZTS thin films by two-stage process: Effect of gas flow-rate in sulfurization process | Journal of molecular structure | 523 days | save |  |  |  |
| 4Cu-ZSM-5 catalyst for the selective catalytic reduction of NO with NH3 and oxidation of elemental mercury | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis and characterization of two water stable coordination polymers with better photocatalytic property towards the organic pollutant in waste water | Journal of molecular structure | 523 days | save |  |  |  |
| Synthesis, crystallographic characterization and Hirshfeld surface analysis of metal complexes of conformationally constrained β-amino acid, 2-(1-aminocyclohexyl)acetic acid with CoII, NiII, CuII and ZnII ions | Journal of molecular structure | 523 days | save |  |  |  |
| A density functional theoretical study of the hydrolysis mechanism of three neonicotinoid based pesticides | Journal of molecular structure | 523 days | save |  |  |  |
| Crystal structure, Hirshfeld surface analysis and PIXEL calculations of the three isomeric (E)-2-((pyridinylmethylidene)hydrazinyl)benzo[d]thiazoles: Occurrence of stacking interactions | Journal of molecular structure | 523 days | save |  |  |  |
| Experiment and theory for acetylene adsorption in transformer oil | Journal of molecular structure | 523 days | save |  |  |  |
| Bis [hydrazinium (1+)] hexafluoridosilicate:(N2H5)2SiF6 novel hybrid crystal as an efficient, reusable and environmentally friendly heterogeneous catalyst for Knoevenagel condensation and synthesis of biscoumarin derivatives | Journal of molecular structure | 523 days | save |  |  |  |
| 2-Amino-6-methylpyridine based co-crystal salt formation using succinic acid: Single-crystal analysis and computational exploration | Journal of molecular structure | 523 days | save |  |  |  |
| Eight salts of 4-dimethylaminopyridine and organic acids by H-bonds and some noncovalent associations | Journal of molecular structure | 527 days | save |  |  |  |
| Molecular interactions and vibrational properties of ricobendazole: Insights from quantum chemical calculation and spectroscopic methods | Journal of molecular structure | 527 days | save |  |  |  |
| Assessment of the molecular structure and spectroscopic properties of CF3-substituted sulfinylaniline derivatives | Journal of molecular structure | 527 days | save |  |  |  |
| Aiding a Better Understanding of Molybdopterin: Syntheses, Structures, and pKa Value Determinations of Varied Pterin-Derived Organic Scaffolds Including Oxygen, Sulfur and Phosphorus Bearing Substituents | Journal of molecular structure | 527 days | save |  |  |  |
| Synthesis, structural characterization, and molecular docking studies of bioactive bismuth(III) complexes with substituted hydrazones | Journal of molecular structure | 527 days | save |  |  |  |
| Synthesis and anti-hyperglycemic evaluation of novel carboximidamides derived from cyanamides | Journal of molecular structure | 527 days | save |  |  |  |
| Graphene oxide as multi-functional initiator and effective molecular reinforcement in PVP/epoxy composites | Journal of molecular structure | 527 days | save |  |  |  |
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