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C−H and N−H Bond Dissociation Energies of Small Aromatic Hydrocarbons
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Mechanism of the P450-Catalyzed Oxidative Cyclization in the Biosynthesis of Griseofulvin
inferred← citeshttps://doi.org/10.1021/acsomega.1c02155openalex-snapshot
Theoretical Study on the Unimolecular Pyrolysis of Thiophene and Modeling
inferred← citeshttps://doi.org/10.1021/acsomega.4c05026openalex-snapshot
A New, Rapid, Colorimetric Chemodosimeter, 4-(Pyrrol-1-yl)pyridine, for Nitrite Detection in Aqueous Solution
inferred← citeshttps://doi.org/10.1021/acsphyschemau.4c00044openalex-snapshot
Isomeric Identification of the Nitroindole Chromophore in Indole + NO3 Organic Aerosol
inferred← citeshttps://doi.org/10.1021/ja209566qopenalex-snapshot
C–H Bond Strengths and Acidities in Aromatic Systems: Effects of Nitrogen Incorporation in Mono-, Di-, and Triazines
inferred← citeshttps://doi.org/10.1021/ja9004927openalex-snapshot
Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions
inferred← citeshttps://doi.org/10.1021/ja910850yopenalex-snapshot
RlmN and Cfr are Radical SAM Enzymes Involved in Methylation of Ribosomal RNA
inferred← citeshttps://doi.org/10.1021/jacs.3c14433openalex-snapshot
Iron-Catalyzed C–H Oxygenation Using Perchlorate Enabled by Secondary Sphere Hydrogen Bonds
inferred← citeshttps://doi.org/10.1021/jo0269215openalex-snapshot
A Detailed Investigation of Subsitituent Effects on N−H Bond Enthalpies in Aniline Derivatives and on the Stability of Corresponding N-Centered Radicals
inferred← citeshttps://doi.org/10.1021/jp004379nopenalex-snapshot
Quantum Chemical Characterization of Singlet and Triplet Didehydroindenes
inferred← citeshttps://doi.org/10.1021/jp010991iopenalex-snapshot
Density Functional Theory Calculation of Molecular Structure and Vibrational Spectra of Dibenzothiophene in the Ground and the Lowest Triplet State
inferred← citeshttps://doi.org/10.1021/jp011779hopenalex-snapshot
Naphthyl Radical: Negative Ion Photoelectron Spectroscopy, Franck−Condon Simulation, and Thermochemistry
inferred← citeshttps://doi.org/10.1021/jp020607xopenalex-snapshot
Estimation of C−C Bond Dissociation Enthalpies of Large Aromatic Hydrocarbon Compounds Using DFT Methods
inferred← citeshttps://doi.org/10.1021/jp030494xopenalex-snapshot
Naphthalenyl, Anthracenyl, Tetracenyl, and Pentacenyl Radicals and Their Anions
inferred← citeshttps://doi.org/10.1021/jp0361125openalex-snapshot
Accurate Calculations of Bond Dissociation Enthalpies with Density Functional Methods
inferred← citeshttps://doi.org/10.1021/jp053566oopenalex-snapshot
Photoelectron Spectra and Ion Chemistry of Imidazolide
inferred← citeshttps://doi.org/10.1021/jp054352+openalex-snapshot
Grafting and Polymer Formation on Silicon from Unsaturated Grignards: I− Aromatic Precursors
inferred← citeshttps://doi.org/10.1021/jp0643956openalex-snapshot
Density Functional Theory Investigation of Competitive Free-Radical Processes during the Thermal Cracking of Methylated Polyaromatics: Estimation of Kinetic Parameters
inferred← citeshttps://doi.org/10.1021/jp068504sopenalex-snapshot
Theoretical Rates for the Emission of Atomic Hydrogen from a Naphthalene Cation
inferred← citeshttps://doi.org/10.1021/jp073475mopenalex-snapshot
Thermochemical Studies of N-Methylpyrazole and N-Methylimidazole
inferred← citeshttps://doi.org/10.1021/jp102996dopenalex-snapshot
Structure and Thermochemical Properties of 2-Methoxyfuran, 3-Methoxyfuran, and Their Carbon-Centered Radicals Using Computational Chemistry
inferred← citeshttps://doi.org/10.1021/jp1118458openalex-snapshot
Pyrolysis Mechanisms of Thiophene and Methylthiophene in Asphaltenes
inferred← citeshttps://doi.org/10.1021/jp202802aopenalex-snapshot
Role of the Low-Energy Excited States in the Radiolysis of Aromatic Liquids
inferred← citeshttps://doi.org/10.1021/jp203108eopenalex-snapshot
Effect of Substituents on the Strength of N–X (X = H, F, and Cl) Bond Dissociation Energies: A High-Level Quantum Chemical Study
inferred← citeshttps://doi.org/10.1021/jp401222kopenalex-snapshot
Photoelectron Spectroscopic and Theoretical Study of Aromatic–Bim Anionic Complexes (Aromatic = C6H5, C5H4N, C4H3O, and C4H4N; m = 1–3): A Comparative Study
inferred← citeshttps://doi.org/10.1021/jp4058719openalex-snapshot
Polyradicals of Polycyclic Aromatic Hydrocarbons as Finite Size Models of Graphene: Highly Open-Shell Nature, Symmetry Breaking, and Enhanced-Edge Electron Density
inferred← citeshttps://doi.org/10.1021/jp805837bopenalex-snapshot
Photoelectron Spectroscopic and Theoretical Study of Aromatics−Pbm Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m = 1−4): A Comparative Study
inferred← citeshttps://doi.org/10.1021/jp809356yopenalex-snapshot
Combustion Pathways of the Alkylated Heteroaromatics: Bond Dissociation Enthalpies and Alkyl Group Fragmentations
inferred← citeshttps://doi.org/10.1021/jp810315nopenalex-snapshot
Formation Enthalpies and Bond Dissociation Energies of Alkylfurans. The Strongest C—X Bonds Known?
inferred← citeshttps://doi.org/10.1021/jp903362gopenalex-snapshot
Heterogeneous CO2 Evolution from Oxidation of Aromatic Carbon-Based Materials
inferred← citeshttps://doi.org/10.1021/jp905531copenalex-snapshot
Thermochemistry of Bithiophenes and Thienyl Radicals. A Calorimetric and Computational Study
inferred← citeshttps://doi.org/10.1021/jp910498yopenalex-snapshot
A Theoretical Study on C−COOH Homolytic Bond Dissociation Enthalpies
inferred← citeshttps://doi.org/10.1021/ol047782bopenalex-snapshot
The Reaction of Triplet Nitrenes with Oxygen: A Computational Study
inferred← citeshttps://doi.org/10.1021/om701135copenalex-snapshot
anti-Spin-Delocalization Effect in Co−C Bond Dissociation Enthalpies
inferred← citeshttps://doi.org/10.1038/s41467-023-42191-9openalex-snapshot
Visible light-triggered selective C(sp2)-H/C(sp3)-H coupling of benzenes with aliphatic hydrocarbons
inferred← citeshttps://doi.org/10.1038/s41557-022-01002-2openalex-snapshot
Ambient-light-induced intermolecular Coulombic decay in unbound pyridine monomers
inferred← citeshttps://doi.org/10.1039/b107164popenalex-snapshot
7 Reaction mechanisms. Part (iv) Radical and radical ion reactions
inferred← citeshttps://doi.org/10.1039/b315093copenalex-snapshot
The thermal decomposition of 5-membered rings: a laser pyrolysis study
inferred← citeshttps://doi.org/10.1039/c002135kopenalex-snapshot
Direct detection of pyridine formation by the reaction of CH (CD) with pyrrole: a ring expansion reaction
inferred← citeshttps://doi.org/10.1039/c1np00036eopenalex-snapshot
Radical S-adenosylmethionine enzymes: Mechanism, control and function
inferred← citeshttps://doi.org/10.1039/c5nj01354bopenalex-snapshot
Theoretical study on homolytic C(sp 2 )–O cleavage in ethers and phenols
inferred← citeshttps://doi.org/10.1039/c5ra19599copenalex-snapshot
A catalytic route to dibenzodiazepines involving Buchwald–Hartwig coupling: reaction scope and mechanistic consideration
inferred← citeshttps://doi.org/10.1039/c6cp05677fopenalex-snapshot
Dehydro-oxazole, thiazole and imidazole radicals: insights into the electronic structure, stability and reactivity aspects
inferred← citeshttps://doi.org/10.1039/c6py01008copenalex-snapshot
Polymer brushes on metal–organic frameworks by UV-induced photopolymerization
inferred← citeshttps://doi.org/10.1039/c6sc05405fopenalex-snapshot
Resonances of the anthracenyl anion probed by frequency-resolved photoelectron imaging of collision-induced dissociated anthracene carboxylic acid
inferred← citeshttps://doi.org/10.1039/c7cc05011aopenalex-snapshot
Nickel-catalyzed C–H activation of purine bases with alkyl halides
inferred← citeshttps://doi.org/10.1039/c7cp07579kopenalex-snapshot
Through bond and through space interactions in dehydro-diazine radicals: a case study of 3c-5e interactions
inferred← citeshttps://doi.org/10.1039/d0cp04354kopenalex-snapshot
UV-induced radical formation and isomerization of 4-methoxyindole and 5-methoxyindole
inferred← citeshttps://doi.org/10.1039/d1na00590aopenalex-snapshot
Conformational evolution following the sequential molecular dehydrogenation of PMDI on a Cu(111) surface
inferred← citeshttps://doi.org/10.1039/d2cp04413gopenalex-snapshot
Pyrolysis and oxidation of benzene and cyclopentadiene by NO x : a ReaxFF molecular dynamics study
inferred← citeshttps://doi.org/10.1063/1.1619941openalex-snapshot
Dissociative adsorption of pyrrole on Si(111)-(7×7)
inferred← citeshttps://doi.org/10.1063/1.2754687openalex-snapshot
Experimental and theoretical study of the pyrrole cluster photochemistry: Closing the πσ* dissociation pathway by complexation
inferred← citeshttps://doi.org/10.1063/1.3548873openalex-snapshot
The C–H bond dissociation energy of furan: Photoelectron spectroscopy of the furanide anion
inferred← citeshttps://doi.org/10.1063/1.3593275openalex-snapshot
Electronic states of thiophenyl and furanyl radicals and dissociation energy of thiophene via photoelectron imaging of negative ions
inferred← citeshttps://doi.org/10.1063/1674-0068/29/cjcp1512266openalex-snapshot
Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies
inferred← citeshttps://doi.org/10.1063/5.0087289openalex-snapshot
Intramolecular vibrational energy redistribution in nucleobases: Excitation of NH stretching vibrations in adenine–uracil + H2O
inferred← citeshttps://doi.org/10.1063/5.0114730openalex-snapshot
Thermal cracking assessment for a mixture of heavy fuel oil from Iraqi refineries used in Al-Kufa cement factory’s boilers
inferred← citeshttps://doi.org/10.1073/pnas.1520862113openalex-snapshot
Isomer-specific vibronic structure of the 9-, 1-, and 2-anthracenyl radicals via slow photoelectron velocity-map imaging
inferred← citeshttps://doi.org/10.1073/pnas.2005122117openalex-snapshot
Cathodic electroorganic reaction on silicon oxide dielectric electrode
inferred← citeshttps://doi.org/10.1073/pnas.2202744121openalex-snapshot
Hydrogen ejection from hydrocarbons: Characterization and relevance in soot formation and interstellar chemistry
inferred← citeshttps://doi.org/10.1103/physrevlett.109.265507openalex-snapshot
Suppression of Grain Boundaries in Graphene Growth on Superstructured Mn-Cu(111) Surface
inferred← citeshttps://doi.org/10.1126/science.1253150openalex-snapshot
Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen
inferred← citeshttps://doi.org/10.1128/aem.00856-24openalex-snapshot
Anaerobic benzene oxidation in Geotalea daltonii involves activation by methylation and is regulated by the transition state regulator AbrB
inferred← citeshttps://doi.org/10.1134/s0869864321050139openalex-snapshot
Influence of a Pt-Rh/Pt thermocouple on combustion of benzene, pyridine, and pyrrole in a high pressure steam
inferred← citeshttps://doi.org/10.1142/s0219633613500430openalex-snapshot
A B3LYP AND MP2(FULL) THEORETICAL INVESTIGATION INTO THE C–NO2 BOND STRENGTH UPON THE FORMATION OF HF OR Na+ COMPLEX INVOLVING THE NITRO GROUP OF NITRO-1,2,4-TRIAZOLE
inferred← citeshttps://doi.org/10.1515/pac-2025-0728openalex-snapshot
Experimental and theoretical investigation of plastic waste pyrolysis for environmental management in Kinshasa, Democratic Republic of Congo
inferred← citeshttps://doi.org/10.18520/cs/v114/i06/1295-1298openalex-snapshot
Electron Density, Interaction Energy and Hydrogen-Bond Radius of C–H...O Interaction
inferred← citeshttps://doi.org/10.2478/acs-2025-0001openalex-snapshot
On the thermodynamics of homolytic C—H bond cleavage in linear and branched alkanes: Comparison of DFT and composite G4 and G4(MP2) methods
inferred← citeshttps://doi.org/10.2514/6.2017-5019openalex-snapshot
Preliminary Ionic Liquid Propellant Selection for Dual-Mode Micro-Propulsion Systems
inferred← citeshttps://doi.org/10.70675/918dca9az3de1z401eza275z44b0cffcfba1openalex-snapshot
Development of a multi-scale approach using chemical kinetics and reactive force field molecular dynamics to model soot formation and oxidation
inferred← citeshttps://doi.org/10.70675/ddfaec27z9997z4b14z82f3zc1ecad0b724aopenalex-snapshot
CH bond activation of methane and unsaturated molecules by a transient eta2-cyclopropene complex of niobium : synthesis, characterization and mechanistic studies
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