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Unlocking Therapeutic Potential of Genistein: Its Hybrids with Selected Nsaids – Synthesis, Characterisation and Dft Study

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13C CP MAS NMR and GIAO-CHF/DFT calculations of flavonoids: Morin, kaempferol, tricin, genistein, formononetin and 3,7-dihydroxyflavone
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Study of hydrogen-bonding, vibrational dynamics and structure-activity relationship of genistein using spectroscopic techniques coupled with DFT
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Structural and spectroscopic properties of itraconazole and ketoconazole – Experimental and theoretical studies
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Optimization of the r2SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis Sets
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Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation
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Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations
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A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen
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ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy
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The role of the basis set: Assessing density functional theory
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Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
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A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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Structural and spectroscopic properties of voriconazole and fluconazole – Experimental and theoretical studies
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Molekularne mechanizmy działania genisteiny w świetle terapii chorób genetycznych i immunologicznych
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Genistein - characterization of the molecule, similarity to estradiol and pharmacological potential
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Molecular Consortia—Various Structural and Synthetic Concepts for More Effective Therapeutics Synthesis
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Structural and Spectroscopic Properties of Isoconazole and Bifonazole—Experimental and Theoretical Studies
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Hybrid Compounds Strategy in the Synthesis of Oleanolic Acid Skeleton-NSAID Derivatives
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Periodic DFT Calculations—Review of Applications in the Pharmaceutical Sciences
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