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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_25/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_25/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	25
Rights Holder	American Chemical Society
is Is Part Of of	An Empirical Potential Energy Surface for the He−Br2 (B3Πu) van der Waals Complex Reactive Uptake of O3 by Multicomponent and Multiphase Mixtures Containing Oleic Acid Near-Infrared Fluorescent Probes: Synthesis and Spectroscopic Investigations of A FewAmphiphilic Squaraine Dyes Silicon Monohydride Clusters SinH (n = 4−10) and Their Anions: Structures,Thermochemistry, and Electron Affinities Thiolysis and Alcoholysis of Phosphate Tri- and Monoesters with Alkyl and Aryl LeavingGroups. An ab Initio Study in the Gas Phase Vibrational Energy Relaxation Rates via the Linearized Semiclassical Approximation: Applications to Neat Diatomic Liquids and Atomic−Diatomic Liquid Mixtures Electronic Absorption Spectra of C3Cl, C4Cl, and Their Ions in Neon Matrices Photodegradation of Substituted Stilbene Compounds: What Colors Aging Paper Yellow? Absolute Calculations of Acidity of C-Substituted Tetrazoles in Solution The Chiral Molecule CHClFI: First Determination of Its Molecular Parameters by FourierTransform Microwave and Millimeter-Wave Spectroscopies Supplemented by ab InitioCalculations Conformational Flexibility, UV−Induced Decarbonylation, and FTIR Spectra of1-Phenyl-1,2 Propanedione in Solid Xenon and in the Low Temperature Amorphous Phase Theoretical Study on Structures and Stability of Si2CP Isomers Design of Density Functionals That Are Broadly Accurate for Thermochemistry,Thermochemical Kinetics, and Nonbonded Interactions Second-Order Møller−Plesset Evaluation of the Bond Length Alternation of Several Seriesof Linear Oligomers Global Mapping of Equilibrium and Transition Structures on Potential Energy Surfaces bythe Scaled Hypersphere Search Method: Applications to ab Initio Surfaces ofFormaldehyde and Propyne Molecules Theoretical Study on Structures and Aromaticities of P5- Anion, [Ti (η5-P5)]- and SandwichComplex [Ti(η5-P5)2]2- A DFT Study of the Pericyclic/Pseudopericyclic Character of Cycloaddition Reactions ofEthylene and Formaldehyde to Buta-1,3-dien-1-one and Derivatives Symmetry-Broken Reactant Motion upon Phase-Related Symmetrically ModulatedExcitations: Application to Highly Selective Molecular Sorting Preferred Conformers and Photochemical (λ > 200 nm) Reactivity of Serine and3,3-Dideutero-Serine In the Neutral Form Inelastic Neutron Scattering Spectra of Free Base and Zinc Porphines: A Comparison withDFT-Based Vibrational Analysis Limitations of the Molecular Multipole Expansion Treatment of Electrostatic Interactionsfor C−H···O and O−H···O Hydrogen Bonds and Application of a General Charge DensityApproach Substituent Effects Vibrational Relaxation of Molecular Ions at Low Temperatures: O2-(v=1) + Ar CH···N and CH···S Hydrogen BondsInfluence of Hybridization on Their Strength Zero Point Energy of Polyhedral Water Clusters Electron Trapping by Polar Molecules in Alkane Liquids: Cluster Chemistry in DiluteSolution Coordination Properties of the Oxime Analogue of Glycine to Cu(II)

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