Every reference with a DOI in the deposited reference list resolved to a known
work in Crossref or DataCite at the dated check, and none carried a retraction,
withdrawal, or removal notice.
The 67 checked references that resolve
resolves10.1002/cphc.200200327No‐Barrier Theory: Calculating Rates of Chemical Reactions from Equilibrium Constants and Distortion Energies
resolves10.1139/v85-276Relationships between geometries and energies of identity S<sub>N</sub>2 transition states: the dominant role of the distortion energy and its origin
resolves10.1021/ja075785oOrigin of Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions of Polyhalogenated Heterocycles
resolves10.1021/om060274gOxidative Addition versus Dehydrogenation of Methane, Silane, and Heavier AH<sub>4</sub>Congeners Reacting with Palladium
resolves10.1002/cphc.200700092Transition‐State Energy and Position along the Reaction Coordinate in an Extended Activation Strain Model
resolves10.1021/ct700214vReaction Coordinates and the Transition-Vector Approximation to the IRC
resolves10.1021/ic50196a034A theoretical study of the ethylene-metal bond in complexes between copper(1+), silver(1+), gold(1+), platinum(0) or platinum(2+) and ethylene, based on the Hartree-Fock-Slater transition-state method
resolves10.1063/1.434152The intrinsic reaction coordinate. An <i>a</i>
<i>b</i> <i>i</i>
<i>n</i>
<i>i</i>
<i>t</i>
<i>i</i>
<i>o</i> calculation for HNC→HCN and H−+CH4→CH4+H−
resolves10.1039/b914873fTrends and anomalies in H–AHn and CH3–AHn bond strengths (AHn = CH3, NH2, OH, F)
resolves10.1002/chem.200500850Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist
resolves10.1021/cr980407aTheoretical Studies in Palladium and Platinum Molecular Chemistry
resolves10.1039/B814973ATheoretical aspects of palladium-catalysed carbon–carbon cross-coupling reactions
resolves10.1039/b907148bDensity functional theory for transition metals and transition metal chemistry
resolves10.1063/1.1388040Oxidative addition of Pd to C–H, C–C and C–Cl bonds: Importance of relativistic effects in DFT calculations
resolves10.1021/jp047986+Activation of H−H, C−H, C−C, and C−Cl Bonds by Pd(0). Insight from the Activation Strain Model
resolves10.1021/ct0499478Activation of H−H, C−H, C−C and C−Cl Bonds by Pd and PdCl<sup>-</sup>. Understanding Anion Assistance in C−X Bond Activation
resolves10.1021/ct050254gOxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study
resolves10.1021/ct600342jCatalytic Carbon−Halogen Bond Activation: Trends in Reactivity, Selectivity, and Solvation
resolves10.1021/om00135a001Theoretical studies of oxidative addition and reductive elimination. 2. Reductive coupling of hydrogen-hydrogen, hydrogen-carbon, and carbon-carbon bonds from palladium and platinum complexes
resolves10.1021/ja00052a059Theoretical study of the activation of carbon-carbon bonds by transition metal atoms
resolves10.1021/ja802533uAnalysis of the Concerted Metalation-Deprotonation Mechanism in Palladium-Catalyzed Direct Arylation Across a Broad Range of Aromatic Substrates
resolves10.1021/om8006568Transition State Energy Decomposition Study of Acetate-Assisted and Internal Electrophilic Substitution C−H Bond Activation by (acac-O,O)
<sub>2</sub>
Ir(X) Complexes (X = CH
<sub>3</sub>
COO, OH)
resolves10.1021/om060236xUnderstanding the Relative Easiness of Oxidative Addition of Aryl and Alkyl Halides to Palladium(0)
resolves10.1016/j.jorganchem.2009.02.011In-depth insight into the electronic and steric effects of phosphine ligands on the mechanism of the R–R reductive elimination from (PR3)2PdR2
resolves10.1139/V09-009Bond activation by group-11 transition-metal cations
resolves10.1021/ja0606529Nucleophilic Substitution at Phosphorus (S<sub>N</sub>2@P): Disappearance and Reappearance of Reaction Barriers
resolves10.1021/jo070076eNucleophilic Substitution at Silicon (S
<sub>N</sub>
2@Si) via a Central Reaction Barrier
resolves10.1002/asia.200800065Frontside versus Backside S<sub>N</sub>2 Substitution at Group 14 Atoms: Origin of Reaction Barriers and Reasons for Their Absence
resolves10.1002/chem.200802596Bonding or Nonbonding? Description or Explanation? “Confinement Bonding” of He@adamantane
resolves10.1021/jo061637pPolycyclic Benzenoids: Why Kinked is More Stable than Straight
resolves10.1021/jo801215zNucleophilicity and Leaving-Group Ability in Frontside and Backside S
<sub>N</sub>
2 Reactions
resolves10.1021/jo900834mMechanism of S<sub>H</sub>2 Reactions of Disulfides: Frontside vs Backside, Stepwise vs Concerted
resolves10.1021/jo702051fMechanism of Thiolate−Disulfide Interchange Reactions in Biochemistry
resolves10.1021/jp7104665Mechanism of Thioredoxin-Catalyzed Disulfide Reduction. Activation of the Buried Thiol and Role of the Variable Active-Site Residues
resolves10.1021/jp035407fEffect of Micro and Bulk Solvation on the Mechanism of Nucleophilic Substitution at Sulfur in Disulfides
resolves10.1021/jp810856aTheoretical Studies of the Nucleophilic Substitution of Halides and Amine at a Sulfonyl Center
resolves10.1002/poc.1412Mechanism of nucleophilic substitutions at phenacyl bromides with pyridines. A computational study of intermediate and transition state
resolves10.1021/ct900041yExploring the Reactivity Trends in the E2 and S<sub>N</sub>2 Reactions of X<sup>−</sup> + CH<sub>3</sub>CH<sub>2</sub>Cl (X = F, Cl, Br, HO, HS, HSe, NH<sub>2</sub> PH<sub>2</sub>, AsH<sub>2</sub>, CH<sub>3</sub>, SiH<sub>3</sub>, and GeH<sub>3</sub>)
resolves10.1039/b822763bNucleophile-dependent regioselective ring opening of 2-substituted N,N-dibenzylaziridinium ions: bromide versus hydride
resolves10.1021/ja800009zTheory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
resolves10.1002/anie.200805906Dynamics of 1,3‐Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction
resolves10.1021/jo802189wDistortion, Interaction, and Conceptual DFT Perspectives of MO<sub>4</sub>−Alkene (M = Os, Re, Tc, Mn) Cycloadditions
resolves10.1021/ja9003624Reactivity and Regioselectivity in 1,3-Dipolar Cycloadditions of Azides to Strained Alkynes and Alkenes: A Computational Study
resolves10.1021/ja8079548Diels−Alder Exo Selectivity in Terminal-Substituted Dienes and Dienophiles: Experimental Discoveries and Computational Explanations
resolves10.1021/ja809142xTransition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels−Alder Cycloadditions of Aromatic Molecules
resolves10.1002/chem.200902024Double Group Transfer Reactions: Role of Activation Strain and Aromaticity in Reaction Barriers
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