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Femtosecond Photoelectron Imaging on Pyrazine: (1+2‘) REMPI of Deuterated Pyrazine
Vibrational Assignment of Energetic Material 5-Nitro-2,4-dihydro-1,2,4-triazole-3-one(NTO) with Labeled Isomers
Uptake and Collision Dynamics of Gas Phase Ozone at Unsaturated Organic Interfaces
Heterogeneous Reaction of Nitric Acid with Nitric Oxide on Glass Surfaces underSimulated Atmospheric Conditions
Electrospray Ionization Ion Mobility Spectrometry of Amino Acids: Ion Mobilities and aMass−Mobility Correlation
Nature of X−H+δ···-δH−Y Dihydrogen Bonds and X−H···σ Interactions
Spin Transfer and Magnetic Interaction via Phosphorus in Nitronyl NitroxideRadical-Substituted Triphenylphosphine Derivatives
Structural and Spectroscopic Properties of Mg−Bacteriochlorin and MethylBacteriochlorophyllides a, b, g, and h Studied by Semiempirical, ab Initio, and DensityFunctional Molecular Orbital Methods
Mechanisms of Peroxynitrous Acid and Methyl Peroxynitrite, ROONO (R = H, Me),Rearrangements: A Conformation-Dependent Homolytic Dissociation
Crystal and Molecular Structure of Pyrrole-2-carboxylic Acid; π-Electron Delocalization ofIts Dimers−DFT and MP2 Calculations
Ab Initio Calculations of 17O NMR-Chemical Shifts for Water. The Limits of PCM Theoryand the Role of Hydrogen-Bond Geometry and Cooperativity
Pulse Radiolysis Studies of the Reactions of Carbonate Radical Anion with Myoglobin andHemoglobin
Attractive and Repulsive Intermolecular Interactions of a Polar Molecule: Short-RangeStructure of Neat Supercritical CHF3 Investigated by Raman Spectroscopy
Microsolvation of Li+ in Water Analyzed by Ionization and Double Ionization
Solvation of Al−Guanine Complexes with NH3: A Theoretical Study
Ultrafast Excited State Dynamics of Tri- and Hexaporphyrin Arrays
MONTY: Monte Carlo Crystal Growth on Any Crystal Structure in Any CrystallographicOrientation; Application to Fats
The Energetics of the Hydrogenolysis, Dehydrohalogenation, and Hydrolysis of4,4‘-Dichloro-diphenyl-trichloroethane from ab Initio Electronic Structure Theory
Distance and Orientation Dependence of Excitation Transfer Rates in Conjugated Systems: Beyond the Förster Theory
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