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Mechanisms of Difluoroethylene Ozonolysis: A Density Functional Theory Study
Reactions of Aliphatic Thiyl Radicals in the Solid State: Photoisomerization oftrans-4,5-Dihydroxy-1,2-dithiacyclohexane and Oxidation of Dithiothreitol
Thermochromism of Metal Ion Complexes of Semiquinone Radical Anions. Control ofEquilibria between Diamagnetic and Paramagnetic Species by Lewis Acids
Hollow Cages versus Space-Filling Structures for Medium-Sized Gold Clusters: TheSpherical Aromaticity of the Au50 Cage
Spectroscopic Evidence for the Existence of the CF3OSO3 Radical
Conformations of Trimethoxymethylsilane: Matrix Isolation Infrared and Ab Initio Studies
Magnetic Couplings in Vanadium Aromatic Sandwich Complexes and Their Crystals byUsing DFT Methods
Nanosecond Time-Resolved Infrared Studies of Visnagin and Khellin Triplets and RadicalIons
Rare Gas Effects on Hyperfine Coupling Constants of BO, AlO, and GaO
DFT Study of Structure and Binding Energies of Fe−Corannulene Complex
Concerted Effects of Substituents in the Reaction of •OH Radicals with Aromatics: TheCresols
Laser-Induced Fluorescence Spectra of 4-Methylcyclohexoxy Radical and PerdeuteratedCyclohexoxy Radical and Direct Kinetic Studies of Their Reactions with O2
Competitive Diels−Alder Reactions: Cyclopentadiene and Phospholes with Butadiene
Femtosecond Transient Absorption Anisotropy Studyon [Ru(bpy)3]2 + and [Ru(bpy)(py)4]2 +. Ultrafast InterligandRandomization of the MLCT State
The Influence of Microhydration on the Ionization Energy Thresholds ofUracil and Thymine
Aromatic Amines: A Comparison of Electron-Donor Strengths
Threshold Behavior in Electron-Transfer Collisions between Rubidium Atoms and C2F5Clor C2F5I Molecules
Toward an Accurate and Efficient Semiclassical Surface Hopping Procedure forNonadiabatic Problems
Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π,Anion−π2 and Anion−π3 Complexes
Investigation into the Valence Electronic Structure of Norbornene Using ElectronMomentum Spectroscopy, Green's Function, and Density Functional Theories
A Systematic Computational Study of the Reactions of HO2 with RO2: The HO2 +CH2ClO2, CHCl2O2, and CCl3O2 Reactions
Chemical Reaction Studies in CH4/Ar and CH4/N2 Gas Mixtures of a Dielectric BarrierDischarge
First Principles Investigation of the Electronic Structure of the Iron Carbide Cation, FeC+
State-to-State Reaction Dynamics of CH3I Photodissociation at 304 nm
SN2-like Reaction in Hydrogen-Bonded Complexes: A Theoretical Study
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