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46
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Equilibrium Structure and Stability of AlCn (n = 2, 3) and AlCnN (n = 1, 2) Species
Mass-Independent Oxygen Isotope (16O, 17O, 18O) Fractionation Found in Hx, Ox Reactions
Nanosecond Laser Flash Photolysis and Steady-State Photolysis Studies ofBenzyltrimethylsilane and Trimethylsilyldiphenylmethane
Hole Transfer Equilibrium in Rigidly Linked Bichromophoric Molecules
Enthalpies of Formation of N-Substituted Pyrazoles and Imidazoles
Structure of Cationized Arginine (Arg·M+, M = H, Li, Na, K, Rb, and Cs) in the GasPhase: Further Evidence for Zwitterionic Arginine
Direct Observation of Hydrogen Atom Adducts to Nitromethane and Methyl Nitrite. AVariable-Time Neutralization−Reionization Mass Spectrometric and ab Initio/RRKM Study
Atmospheric Oxidation of Fluorinated Ethers, E143a (CF3OCH3), E134 (CHF2OCHF2), andE125 (CHF2OCF3)
Steric Course and Mechanism of the Water Exchange of the Ruthenium(III) AquaPentaammine Ion
Intersystem Crossings in Model Energetic Materials
Valence State Atoms in Molecules. 5. Universal Scaling of the Inner Branch of Fifty RKRPotential Energy Curves. Comparison of the Valence State, Morse, and Rydberg Curves
Intramolecular Dihydrogen Bonding in Main Group Elements. Connection withDehydrogenation Reactions
A Density Functional Theory Study of the Gas-Phase Hydrolysis of Dinitrogen Pentoxide
Structure and Energetics of Vinoxide and the X(2A‘ ‘) and A(2A‘) Vinoxy Radicals
Penning Ionization Electron Spectroscopic and Ab Initio Study of the Interaction andIonization of HNCO and HNCS with He*(23S) Metastable and Li(22S) Ground State Atoms
Hydrogen Bond Strength and Acidity. Structural and Energetic Correlations for Acetylidesand Alcohols
Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular MechanicalMethods
The Gas-Phase Kinetics of Reactions of Alkali Metal Atoms with Nitric Oxide
Electronic and Geometrical Structure of the Sc[BO]+ Cation. An Ab Initio Investigation
Reduction Behavior of the Early Actinyl Ions in Aqueous Solution
Ab Initio Molecular Orbital Study of the N(2D) + HCN(1Σ) Reaction
Ground and Triplet Excited Structures and Spectroscopic Properties of Halogenated Zincmeso-Tetraphenylporphyrin
Thermochemical Characterization of Seaborgium Compounds in Gas AdsorptionChromatography
Validity of the Minimum Polarizability Principle in Molecular Vibrations and InternalRotations: An ab Initio SCF Study
Evidence for π−π Interactions in the S1 State of Zinc Porphyrin Dimers Revealed byPicosecond Time-Resolved Resonance Raman Spectroscopy
An Efficient Deformation-Based Global Optimization Method (Self-ConsistentBasin-to-Deformed-Basin Mapping (SCBDBM)). Application to Lennard-Jones AtomicClusters
Conformational Dynamics of 5,11,17,23-Tetra-p-tert-butyl-25,27-di(N,N-diethylaminocarbonyl)methoxy-26,28-dimethoxycalix[4]arene and Its Kinetics andMechanisms of the Cesium Cation Complexation in Solution Studied by 1H, 13C, and 133CsNMR Spectroscopy
Static SIMS Studies of Reactions on Mimics of Polar Stratospheric Clouds III: Mechanismof Chlorine Nitrate Decomposition and Reaction
Effect of Para Substituents on the Molecular and Electronic Structures of StericallyCongested Triplet Diphenylcarbenes
The Radical Transformation in Artemisinin: A DFT Study
Heterogeneous Chemistry of Acetone in Sulfuric Acid Solutions: Implications for the UpperTroposphere
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