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Proton Transfers in Aromatic and Antiaromatic Systems. How Aromatic or Antiaromatic Is the Transition State? An Ab Initio Study

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Intrinsic barriers for imbalanced versus balanced transition structures
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The Heat of Formation of Cyclobutadiene
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Definition of aromaticity basing on the harmonic oscillator model
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The Principle of Non-perfect Synchronization
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Size-Consistency, Self-Interaction Correction, and Derivative Discontinuity in Density Functional Theory
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Ab initio and density functional calculations of mean-square amplitudes of vibration for benzene and cubane
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Protonation of archetypal aromatic and antiaromatic systems – G2 studies of benzene and cyclobutadiene
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The principle of nonperfect synchronization: more than a qualitative concept?
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Intrinsic barriers of reactions and the principle of nonperfect synchronization
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Moebius-Hueckel concept in organic chemistry. Application of organic molecules and reactions
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Energetic Aspects of Cyclic Pi-Electron Delocalization: Evaluation of the Methods of Estimating Aromatic Stabilization Energies
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Tautomeric Equilibria in Relation to Pi-Electron Delocalization
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Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
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Structural Aspects of Aromaticity
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Geometrical structure of cyclopropane as studied by gas electron diffraction and spectroscopic data
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Theoretical relations among rate constants, barriers, and Broensted slopes of chemical reactions
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Ab Initio Investigation of the Acetaldehyde-to-Acetaldehyde Enolate Proton Transfer
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Is There a Transition-State Imbalance for Proton Transfers in the Gas Phase? Ab Initio Study of the Carbon-to-Carbon Proton Transfer from Acetaldehyde to Its Enolate Ion
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Origins of Nonperfect Synchronization in the Lowest-Energy Path of Identity Proton Transfer Reactions Leading to Delocalized Anions: A VBSCF Study1
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Kinetics of Reversible Carbon Deprotonation of 2-Nitroethanol and 2-Nitro-1,3-propanediol by Hydroxide Ion, Water, Amines, and Carboxylate Ions. A Normal Broensted .alpha. Despite an Imbalanced Transition State
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Transition structures for hydride transfers
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Dynamics of proton transfer involving delocalized negative ions in the gas phase
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Novel aromatic systems. II. Cyclobutenyl cations and the question of their homoaromaticity. Preparation and study of the homocyclopropenium ion, the simplest homoaromatic system
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Carbon-to-Carbon Identity Proton Transfer from Allene, Ketene, Ketenimine, and Thioketene to Their Respective Conjugate Anions in the Gas Phase. Anab InitioStudy
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The Role of Neighboring Groups in Replacement Reactions. XIV. The 5,6-Double Bond in Cholesteryl p-Toluenesulfonate as a Neighboring Group
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A Correlation of Reaction Rates
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Kinetic and Thermodynamic Acidities of Substituted 1-Benzyl-1-methoxy-2-nitroethylenes. Strong Reduction of the Transition State Imbalance Compared to Other Nitroalkanes
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Functionalization and Kinetic Stabilization of the [4]Paracyclophane System and Aromaticity of Its Extremely Bent Benzene Ring
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Reactions That Generate Aromatic Molecules: Is Aromatic Stabilization Less or More Advanced than Bond Changes at the Transition State? Kinetic and Thermodynamic Acidities of Rhenium Carbene Complexes
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Rate of Enolate Formation Is Not Very Sensitive to the Hydrogen Bonding Ability of Donors to Carboxyl Oxygen Lone Pair Acceptors; A Ramification of the Principle of Non-Perfect Synchronization for General-Base-Catalyzed Enolate Formation
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Identity Proton-Transfer Reactions from C−H, N−H, and O−H Acids. An ab Initio, DFT, and CPCM-B3LYP Aqueous Solvent Model Study
inferredcites →https://doi.org/10.1021/ja037864fopenalex-snapshot
Synthesis, Structure and Physical Properties of the First One-Dimensional Phenalenyl-Based Neutral Radical Molecular Conductor
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inferredcites →https://doi.org/10.1021/ja067118lopenalex-snapshot
Does Aromaticity in a Reaction Product Increase or Decrease the Intrinsic Barrier? Kinetics of the Reversible Deprotonation of Benzofuran-3(2H)-one and Benzothiophene-3(2H)-one
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Transition State Imbalances in Gas Phase Proton Transfers. Ab Initio Study of the Carbon-to-Carbon Proton Transfer from the Protonated Acetaldehyde Cation to Acetaldehyde Enol
inferredcites →https://doi.org/10.1021/ja960582dopenalex-snapshot
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
inferredcites →https://doi.org/10.1021/ja963492hopenalex-snapshot
Intrinsic Barriers and Transition State Structures in the Gas Phase Carbon-to-Carbon Identity Proton Transfers from Nitromethane to Nitromethide Anion and from Protonated Nitromethane toaci-Nitromethane. Anab InitioStudy
inferredcites →https://doi.org/10.1021/ja970193zopenalex-snapshot
Physical Organic Chemistry of Transition Metal Carbene Complexes. 10.1 Opposing Effects of α-Alkyl Groups on the Thermodynamic and Kinetic Acidities of (CO)5CrC(OMe)CHR‘R‘‘-Type Fischer Carbene Complexes in Aqueous Acetonitrile. Analogy to the Nitroalkane Anomaly
inferredcites →https://doi.org/10.1021/ja972600copenalex-snapshot
Transition State Imbalance in the Deprotonation of Substituted 2-Tetralones by Hydroxide Ion
inferredcites →https://doi.org/10.1021/ja9831397openalex-snapshot
In-Plane Aromaticity in 1,3-Dipolar Cycloadditions. Solvent Effects, Selectivity, and Nucleus-Independent Chemical Shifts
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Physical Organic Chemistry of Transition Metal Carbene Complexes. 15.1 Kinetic and Thermodynamic Acidities of (Methylthiomethoxycarbene)pentacarbonyl Complexes of Chromium and Tungsten in Aqueous Acetonitrile
inferredcites →https://doi.org/10.1021/ja990070+openalex-snapshot
Transition State Imbalance in Proton Transfer from Phenyl Ring-Substituted 2-Tetralones to Acetate Ion
inferredcites →https://doi.org/10.1021/ja9920720openalex-snapshot
Circular Dichroism at the Edge: Large X-ray Natural CD in the 1s → 3d Pre-Edge Feature of 2[Co(en)3Cl3]·NaCl·6H2O
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Does Nitroalkane Anomaly Exist in the Gas Phase?
inferredcites →https://doi.org/10.1021/jo00116a036openalex-snapshot
Ab Initio Comparison of Identity-Reaction Proton Transfers from Carbon Acids Yielding Localized vs. Delocalized Conjugate Bases
inferredcites →https://doi.org/10.1021/jo001543uopenalex-snapshot
Carbon-to-Carbon Identity Proton Transfers from Propyne, Acetimide, Thioacetaldehyde, and Nitrosomethane to Their Respective Conjugate Anions in the Gas Phase. An ab Initio Study
inferredcites →https://doi.org/10.1021/jo00316a032openalex-snapshot
Acidities of carbon and nitrogen acids: the aromaticity of the cyclopentadienyl anion
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Accurate Calculation of Aromaticity of Benzene and Antiaromaticity of Cyclobutadiene: New Homodesmotic Reactions
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Aromaticity of the Bergman, Myers−Saito, Schmittel, and Directly Related Cyclizations of Enediynes
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To What Extent Can Aromaticity Be Defined Uniquely?
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Nonplanar Aromatic Compounds. 8.1Synthesis, Crystal Structures, and Aromaticity Investigations of the 1,n-Dioxa[n](2,7)pyrenophanes. How Does Bending Affect the Cyclic π-Electron Delocalization of the Pyrene System?
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Proton Transfers from Carbon Acids Activated by π-Acceptors. Changes in Intrinsic Barriers and Transition State Imbalances Induced by a Cyano Group. An ab Initio Study
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Kinetic and Thermodynamic Acidities of Pentacarbonyl(cyclobutenylidene)chromium Complexes. Effect of Antiaromaticity in the Conjugate Anion. An Experimental and Computational Study
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Kinetics of Proton Transfer from Cationic Carbon Acids in Water and Aqueous DMSO. Effect of Activating Groups and Solvent on Intrinsic Rate Constants
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Kinetics of Proton Transfer from Benzo[b]-2,3-dihydrofuran-2-one and Benzo[b]-2,3-dihydrothiophene-2-one. Effect of Anion Aromaticity on Intrinsic Barriers
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In-Plane Aromaticity in Double Group Transfer Reactions
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Transition State Imbalances in the Deprotonation of Picrylacetophenones by Carboxylate and Phenoxide Bases
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Properties of Some Condensed Aromatic Systems
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Proton Transfers from ZCH3 to ZCH2- (Z = F, Cl, Br, OH, SH, SeH). An ab Initio Investigation
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A Simple Ring Current Model for Describing In-Plane Aromaticity in Pericyclic Reactions
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Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
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Ab Initio Study of Nitromethane Deprotonation by (OH)-·nH2O Clusters
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The Acenes: Is There a Relationship between Aromatic Stabilization and Reactivity?
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The Change of Aromaticity along a Diels−Alder Reaction Path
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Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex?
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Transition state imbalance in the ionization of nitroaromatic hydrocarbons: 2,2′,4,4′-tetranitrodiphenylmethane and 2,4,4′-trinitrodiphenylmethane in aqueous dimethyl sulphoxide solutions
inferredcites →https://doi.org/10.1039/p29900001899openalex-snapshot
Ionization of nitrotriphenylmethanes. Remarkable kinetic evidence for steric inhibition to resonance and F-strain
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The low intrinsic reactivity of picrylacetone: an index for the π-acceptor capability of a 2,4,6-trinitrophenyl structure
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The activation energies of reactions involving conjugated systems
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Resonance in Organic Chemistry
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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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Identity-reaction proton transfers from oxygen acids yielding localized vs. delocalized conjugate bases. An ab initio study
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The Nitroalkane Anomaly
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An Extension of the Hückel 4N + 2 Rule to Polycyclic Non-alternant Conjugated Hydrocarbons
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Gas Phase Acid-Base Chemistry

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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