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Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials
Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO)
Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions
Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model
Solubility of Phenanthrene in Ternary Mixtures of C1-C4 Alcohols at 298.2 K
Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002
A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach
Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K
Kinetic studies of the reaction NH₂ + H₂S
An investigation of the reaction of CH₃S with CO
Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents
Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10
Commentary on “Studies on Molar Volume, Dielectric Properties and Refractive Indices of Cyanex 923 + Benzene/Xylene at 300 K”
Descriptors for Cyclooctasulfur: Estimation of Water−Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties
Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material
[Examining the Role of Nanomaterials and Optical Sensors for Genomics Research]
Oxygen atom transfer catalysis by dioxidomolybdenum(VI) complexes of pyridyl aminophenolate ligands
Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-Grasp Enzymes
Triplet photosensitizer-nanotube conjugates: synthesis, characterization and photochemistry of charge stabilizing, palladium porphyrin/carbon nanotube conjugates
Formal oxo- and aza-[3 + 2] reactions of α-enaminones and quinones: a double divergent process and the roles of chiral phosphoric acid and molecular sieves
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