Journal of Molecular Structure Revista

Lugar de publicación

• Synthesis, crystal structure, Hirshfeld surface analyses, and DFT studies of (S)-2-(3,5-di‑tert‑butyl‑4-hydroxyphenyl)-3,3-diethoxy-1-phenylpropan-1-one 2024
• Crystal structure, hydrogen bond patterns, Hirshfeld surface analysis, and topological studies (NCI) of 1,5,5-trimethyl-imidazolidine-2,4-dione; an organic compound with high symmetry crystallizing in the tetragonal space group I4/m 2024
• Isomeric effect in structural studies of substituted nitro hydroxy-3-methoxy-benzaldehyde and nitro 2,3-dimethoxy-benzaldehyde derivatives 2023
• Synthesis, crystal structure, Hirshfeld surface analysis, thermal, luminescent properties, and computational studies of the new triazole derivative 1-(5-methyl-1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl)ethan-1-one 2023
• Single crystal structure, thermal stability and theoretical studies of ethyl 4-(4-(dimethylamino)phenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate 2022
• Synthesis, characterization, crystal and molecular structure and theoretical study of N-(naphthalen-1-yl)-2-(piperidin-1-yl) acetamide, a selective butyrylcholinesterase inhibitor 2022
• Synthesis, crystal structure, hydrogen bond patterns and Hirshfeld surface analysis of (S)-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dione 2022
• 4-(3-Methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-selone: Synthesis, structural characteristics and reactions 2021
• Combined DFT calculation, Hirshfeld surface analysis, and Energy framework study of non-covalent interactions in the crystal structure of (Z)-5-ethylidene-2-thiohydantoin determined by powder X-ray diffraction 2021
• Crystal structure, Hirshfeld surface analysis and DFT studies of N-(4-acetylphenyl)quinoline-3-carboxamide 2021
• Pentacoordinated Fe(III) complex containing the cis-N2O2 asymmetrical tetradentate Schiff base and p-Br-C6H4O- as ligands. Promising building block for the construction of dipolar D–π–A architectures: Synthesis, characterization, spectroscopic, electrochemical and structural studies 2021
• Pentacoordinated isothiocyanate iron(III) complexes supported by asymmetric tetradentate donor and acceptor Schiff base ligands: Spectral, Structural and Hirshfeld Surface Analyses 2021
• Synthesis, spectroscopy and crystal structure characterization, Hirshfeld surface analysis and energy framework calculations of 1-acetyl-5-(2-(methylthio) ethyl)-2-thioxoimidazolidin-4-one 2021
• N-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study 2020
• Structural characterization and Hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one 2020
• Structural analysis of nanocrystalline BaTiO3 2010