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High-Temperature Reactions of O + COS and S + SO2. Abstraction versus SubstitutionChannels
Calcium Photorelease from a Symmetrical Donor−Acceptor−DonorBis-crown-fluoroionophore Evidenced by Ultrafast Absorption Spectroscopy
Infrared Spectra of BCO, B(CO)2, and OCBBCO in Solid Argon
Direct Photophysical Evidence for Quenching of the Triplet Excited State of2,4,6-Triphenyl(thia)pyrylium Salts by 2,3-Diaryloxetanes
Picosecond Time-Resolved Resonance Raman Study of the Solvated Electron in Water
Direct Kinetic Study of the Reaction of Cl2•- Radical Anions with Ethanol at theAir−Water Interface
Substitution and Elimination Reaction of F- with C2H5Cl: An ab Initio MolecularDynamics Study
Complexes of Hydroperoxyl Radical with Glyoxal, Methylglyoxal, Methylvinyl Ketone,Acrolein, and Methacrolein: Possible New Sinks for HO2 in the Atmosphere?
Luminescent Compounds fac- and mer-Aluminum Tris(quinolin-8-olate). A Pure andHybrid Density Functional Theory and Time-Dependent Density Functional TheoryInvestigation of Their Electronic and Spectroscopic Properties
The End of a 30-Year-Old Controversy? A Computational Study of the B−N StretchingFrequency of BH3−NH3 in the Solid State
Photolysis of Oxalyl Chloride (ClCO)2 at 248 nm: Emission of CO(v‘ ⩽ 3, J‘ ⩽ 51) Detectedwith Time-Resolved Fourier Transform Spectroscopy
Coupled Cluster/Molecular Mechanics Method: Implementation and Application to LiquidWater
Modern Valence-Bond Description of Chemical Reaction Mechanisms: The 1,3-DipolarAddition of Methyl Azide to Ethene
Slow Infrared Laser Dissociation of Biomolecules in the Rapid Energy Exchange Limit
Kinetic Study of the Self-Reactions of the BrCH2CH2O2 and BrCH(CH3)CH(CH3)O2Radicals between 275 and 373 K
Unexpected Sensitization Efficiency of the Near-Infrared Nd3+, Er3+, and Yb3+ Emission byFluorescein Compared to Eosin and Erythrosin
Two-Dimensional Analysis of Integrated Three-Pulse Photon Echo Signals of Nile BlueDoped in PMMA
Influence of Confinement on the Solvation and Rotational Dynamics of Coumarin 153 inEthanol
Collision-Free Lifetimes of SO(B3Σ-, v‘ = 0, 1, and 2) and Vibrational Level Dependence ofDeactivation by He
EXAFS and Density Functional Study of Gold(I) Thiosulfate Complex in Aqueous Solution
Al3O4 and Al3O4- Clusters: Structure, Bonding, and Electron Binding Energies
Density Functional Study of the Interaction of H2, N2, O2, CO, and NO Diatomic Moleculeswith H-, Li-, and F- Anions. Prediction of a New Type of Anion Cluster
State-to-State Rate Constant Calculations for V−V Energy Transfer in CO−N2 Collisions
Matrix Infrared Spectra and ab Initio Calculations of the Formohydroxamic AcidComplexes with HF and HCl
Systematic Investigation of Modern Quantum Chemical Methods to Predict ElectronicCircular Dichroism Spectra
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