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Synthesis, Structural, Spectroscopic Characterization, DFT, Antimicrobial, ADME, Molecular Docking, NLO, Local reactivity descriptors, and NBO Study of (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(4-isopropylphenyl)prop-2-en-1-one

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Synthesis, molecular structure, FMO, spectroscopic, antimicrobial and in-silico investigation of (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(4-aryl)prop-2-en-1-one derivative: Experimental and computational study
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The FTIR spectra of substituted tetraoxa[8]circulenes and their assignments based on DFT calculations
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Photoluminescence and electroluminescence of pyrazoline monomers and dimers
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Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials
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Molecular Electrostatic Potentials - Concepts and Applications
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Electrophilicity Index
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Lignans from the Fruit of Schisandra glaucescens with Antioxidant and Neuroprotective Properties
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Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies
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Electronic Population Analysis on LCAO-MO Molecular Wave Functions. III. Effects of Hybridization on Overlap and Gross AO Populations
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Density-functional thermochemistry. III. The role of exact exchange
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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1H‐1,2,3‐triazole‐tethered uracil‐ferrocene and uracil‐ferrocenylchalcone conjugates: Synthesis and antitubercular evaluation
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Synthesis and in vitro anti breast cancer activity of some novel 1,5-benzothiazepine derivatives
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Total Synthesis and Antidepressant Activities of Laetispicine and Its Derivatives
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Structural Correlation of Some Heterocyclic Chalcone Analogues and Evaluation of Their Antioxidant Potential
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