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Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
Rate Constant and Branching Fraction for the NH₂ + NO₂ Reaction
CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis
C-H Functionalization Reactivity of a Nickel-Imide
A Two-Coordinate Nickel Imido Complex That Effects C-H Amination
Reaction kinetics of the addition of atomic sulfur to nitric oxide
Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method
The reaction of OH with acetone and acetone-d₆ from 298 to 832 K: Rate coefficients and mechanism
A computational study of the enthalpies of formation of halomethylidynes
Quantitative Structure-Property Relationship Studies on Ostwald Solubility and Partition Coefficients of Organic Solutes in Ionic Liquids
Solubility in Binary Solvent Mixtures: Pyrene Dissolved in Alcohol + Acetonitrile Mixtures at 299.2 K
Solubility of Lamotrigine, Diazepam, and Clonazepam in Ethanol + Water Mixtures at 298.15 K
Solubility of Chlordiazepoxide, Diazepam, and Lorazepam in Ethanol + Water Mixtures at 303.2 K
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols
Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2
Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane
Predicting Abraham model solvent coefficients
Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge
Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model
Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)platinum(II) chloride toluene monosolvate
Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)platinum(II) tetrafluorido-borate
Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]
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