专题：Structural and Chemical Analysis of Organic and Inorganic Compounds

This cluster of papers focuses on the advances in the synthesis and biological applications of various heterocyclic compounds, including oxadiazoles, thiadiazoles, and other related compounds. The research covers topics such as cycloaddition reactions, antimicrobial properties, fluorinated compounds, and conformational analysis.
最新文献
Assembling of phenyl substituted halogens in the C3-position of substituted isatins by mono wave assisted synthesis: development of a new class of monoamine oxidase inhibitors

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Correction: Synthesis, molecular structure characterization, and in vitro and in silico investigations of heterocyclic N-butylamide-substituted carboxamides

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Some Coumarin Scaffolds Incorporated Benzocaine with Antioxidant Activity

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Correction: Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent

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Regulation of Secondary Bonding Interactions in Dimers of N-Methyl-2,1,3-benzochalcogenadiazolium Halides by the Nature of Chalcogens and Halogens and Solvation in Polar Media

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Viscosity, solubility, and structural order of aromatic polyesters containing pendant naphthyl-benzamide units

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DFT study in the kinetics and mechanism of the thermal decomposition of N-benzoyl-N′-phenylthiourea derivatives

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Research on the Synthesis and Properties of 2,4,6,8-tetranitrane -phthalene-1,5-diol and Its Three Salts

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One-Step Synthesis of a Triangular Donor/Acceptor-Accumulated Compound with Long-Wavelength Absorption

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Corrigendum to “Synthesis and characterization of novel Cu (II) and Zn (II) complexes of 5-{[(2-Hydroxyethyl) sulfanyl] methyl}-8-hydroxyquinoline as effective acid corrosion inhibitor by experimental and computational testings” [Chem. Phys. Lett. 754 (2020) 137771]

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近5年高被引文献
Annals of the Rheumatic Diseases

paratext Full Text OpenAlex 432 FWCI0

Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity

review Full Text OpenAlex 171 FWCI4.538

Biological activity of oxadiazole and thiadiazole derivatives

review Full Text OpenAlex 102 FWCI3.184

DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

article Full Text OpenAlex 96 FWCI6.591

Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane

article Full Text OpenAlex 77 FWCI8.333

Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation

article Full Text OpenAlex 73 FWCI7.9

Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties

article Full Text OpenAlex 70 FWCI5.297

Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate

article Full Text OpenAlex 70 FWCI4.054

Spectroscopic and quantum chemical computation on molecular structure, AIM, ELF, RDG, NCI, and NLO activity of 4-VINYL benzoic acid: A DFT approach

article Full Text OpenAlex 69 FWCI2.887

Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives

article Full Text OpenAlex 67 FWCI3.132