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The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

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Free radicals in biology and medicine

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Assessment of the Importance of Changes in Ground-State Energies on the Bond Dissociation Enthalpies of the O-H Bonds in Phenols and the S-H Bonds in Thiophenols

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The one-electron reduction potential of 4-substituted phenoxyl radicals in water

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Oxygen-hydrogen bond dissociation energies in para-substituted phenols

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Predicting the Activity of Phenolic Antioxidants: Theoretical Method, Analysis of Substituent Effects, and Application to Major Families of Antioxidants

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Effects of the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas-phase acidities

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Heats of ionization of some phenols and benzoic acids in dimethyl sulfoxide. Heats of solvation of oxyanions in dimethyl sulfoxide and water

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Intrinsic acidities of substituted phenols and benzoic acids determined by gas-phase proton-transfer equilibriums

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A Computational Analysis of Substituent Effects on the O−H Bond Dissociation Energy in Phenols: Polar Versus Radical Effects

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A Density Functional Study of Substituent Effects on the O−H and O−CH3 Bond Dissociation Energies in Phenol and Anisole

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Energetics of the O–H Bond in Phenol and Substituted Phenols: A Critical Evaluation of Literature Data

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inferred← citeshttps://doi.org/10.1039/c9dt04553hopenalex-snapshot

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inferred← citeshttps://doi.org/10.1039/c9fo02410gopenalex-snapshot

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inferred← citeshttps://doi.org/10.1039/d0cp03130eopenalex-snapshot

Transient species of esculetin produced in pulse radiolysis: experimental and quantum chemical investigations

inferred← citeshttps://doi.org/10.1063/1.4975330openalex-snapshot

Anion photoelectron spectroscopy of deprotonated ortho-, meta-, and para-methylphenol

inferred← citeshttps://doi.org/10.1080/00268976.2022.2103468openalex-snapshot

An experimental and DFT computational study on Methyl 3-acetyl-2-oxo-2H-chromene-6-carboxylate

inferred← citeshttps://doi.org/10.1080/07328303.2013.868471openalex-snapshot

Enzymatic Molecular Mechanism of the Human O-GlcNAcase to Design New Inhibitors: A Quantum Mechanical Approach

inferred← citeshttps://doi.org/10.1080/07328303.2015.1009090openalex-snapshot

Conformational Analysis of Topiramate and Related Anion in the Solution and Interaction Between the Most Stable Conformer of Topiramate with Active Center of Carbonic Anhydrase Enzyme

inferred← citeshttps://doi.org/10.1080/07391102.2023.2297813openalex-snapshot

Biological evaluations and computational studies of newly synthesized thymol-based Schiff bases as anticancer, antimicrobial and antioxidant agents

inferred← citeshttps://doi.org/10.1080/10426507.2019.1599891openalex-snapshot

Investigation of spectroscopic studies and DFT calculations on glucofuranose derivatives of dithiophosphonates

inferred← citeshttps://doi.org/10.1080/10715760500540442openalex-snapshot

Antioxidant profile of dihydroxy- and trihydroxyphenolic acids-A structure–activity relationship study

inferred← citeshttps://doi.org/10.1080/10715762.2016.1247955openalex-snapshot

Free radical reactions of isoxazole and pyrazole derivatives of hispolon: kinetics correlated with molecular descriptors

inferred← citeshttps://doi.org/10.1080/11263504.2022.2089760openalex-snapshot

Phenolic constituents, antioxidant and α-amylase inhibitory activities of Pulicaria vulgaris growing in Tunisia: an in vitro and in silico study

inferred← citeshttps://doi.org/10.1109/tps.2022.3210031openalex-snapshot

Nitration Mechanism of Hot Plasma Pulsed Radiation for Electric Spark Discharge

inferred← citeshttps://doi.org/10.1134/s0022476614080277openalex-snapshot

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inferred← citeshttps://doi.org/10.1139/cjc-2017-0496openalex-snapshot

Calculated antioxidant activity of selected phenolic compounds

inferred← citeshttps://doi.org/10.1139/v2012-087openalex-snapshot

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inferred← citeshttps://doi.org/10.1142/s0219633608004507openalex-snapshot

THEORETICAL STUDIES OF HYDROGEN BONDING INTERACTION BETWEEN TRIMETHYLAMINE AND SUBSTITUTED PHENOLS, INFLUENCE OF THE SUBSTITUENTS ON THE HYDROGEN BOND PROPERTIES AND THE VIBRATIONAL SPECTRUM

inferred← citeshttps://doi.org/10.1142/s0219633612501167openalex-snapshot

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inferred← citeshttps://doi.org/10.1142/s1088424619500913openalex-snapshot

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inferred← citeshttps://doi.org/10.1186/s13065-024-01273-5openalex-snapshot

Synthesis and evaluation of in vitro antioxidant, anticancer, and antibacterial properties of new benzylideneiminophenylthiazole analogues

inferred← citeshttps://doi.org/10.1246/bcsj.20120265openalex-snapshot

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inferred← citeshttps://doi.org/10.1371/journal.pone.0049037openalex-snapshot

High Yields of Hydrogen Production Induced by Meta-Substituted Dichlorophenols Biodegradation from the Green Alga Scenedesmus obliquus

inferred← citeshttps://doi.org/10.17691/stm2022.14.4.02openalex-snapshot

Sporicidal Action of Pulsed Radiation of Hot Plasma

inferred← citeshttps://doi.org/10.2174/1872312812666180913120736openalex-snapshot

Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study

inferred← citeshttps://doi.org/10.23939/chcht14.04.448openalex-snapshot

Antioxidant Potential of Novel Designed Phenolic Derivatives: Computational Insights

inferred← citeshttps://doi.org/10.2478/auoc-2025-0003openalex-snapshot

Theoretical evaluation of some natural polysaccharides as nanocarriers for the terpene alcohols from essential oils

inferred← citeshttps://doi.org/10.25077/jrk.v5i2.211openalex-snapshot

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inferred← citeshttps://doi.org/10.3109/10715762.2011.653966openalex-snapshot

Effects of curcumin and related compounds on processes involving α-hydroxyethyl radicals

inferred← citeshttps://doi.org/10.31390/gradschool_dissertations.3837openalex-snapshot

Elementary reactions involved in pollutant-forming mechanisms

inferred← citeshttps://doi.org/10.3329/dujs.v65i2.54518openalex-snapshot

Characterization of Chromium-tris(catecholate) Complex: A Theoretical Study

inferred← citeshttps://doi.org/10.3390/molecules31040720openalex-snapshot

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inferred← citeshttps://doi.org/10.37761/rsqp.v85i2.81openalex-snapshot

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inferred← citeshttps://doi.org/10.5012/bkcs.2012.33.10.3343openalex-snapshot

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inferred← citeshttps://doi.org/10.5012/bkcs.2012.33.11.3607openalex-snapshot

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inferred← citeshttps://doi.org/10.6000/1929-5634.2017.06.04.4openalex-snapshot

QM Study on the Mechanism of Carbonic Anhydrase II Inhibition with Glycosylcoumarin as Non-Zinc Mediated Inhibitors from Thermodynamic View Point

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