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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106/issue_6/m/print http://hub.abes.fr/acs/periodical/jpcafh/2002/volume_106/issue_6/m/web
Date Copyrighted	2002
Rights	Copyright © 2002 American Chemical Society
issue	6
Rights Holder	American Chemical Society
is Is Part Of of	Structure of a Metal Ion Binding Site in β-Lactamase: Quantum Mechanical Study of theInfluence of Hydrogen-Bonding Network and Backbone Constraints Propagation Failure in an Array of Oregonator Cells and Irreversible Thermodynamics ofan Assembly of Discrete Systems Electroabsorption Spectroscopic Studies of Dipolar Ruthenium(II) Complexes PossessingLarge Quadratic Nonlinear Optical Responses Isomerization of 2,3-Dihydrofuran and 5-Methyl-2,3-dihydrofuran: Quantum Chemical andKinetics Calculations G3(MP2) Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of[3]-Radialene and Related Compounds Rate Constants for the Gas-Phase Reactions of Silylene with Methanol, DeuteratedMethanol, and Water A New Cluster Pair Method of Determining Absolute Single Ion Solvation EnergiesDemonstrated in Water and Applied to Ammonia First Spectroscopic Observation of Gas-Phase HOONO A High-Level Theoretical Study on the Gas-Phase Identity Methyl Transfer Reactions Absolute Rate Constants for Collisional Vibrational Relaxation in Dense VibrationalRegions of S1p-Difluorobenzene Energy, Enthalpy, and Volume Change of Hydrogen-Bond Formation in Large, Charged,Water Vapor Clusters, H+(H2O)c, Determined from Mass Spectral Distributions Kinetics of the Gas-Phase Reaction of Some Unsaturated Alcohols with the Nitrate Radical On the Nature of C−Li Bonding in Lithiated Hydrocarbons and Lithiocarbons Adsorption of Atmospheric Gases at the Air−Water Interface. 4: The Influence of Salts Negative Ion Chemistry of Ozone in the Gas Phase Semiclassical Assignment of the Vibrational Spectrum of N2O Theoretical Investigation of 19F NMR Chemical Shielding of Alkaline-Earth-Metal andAlkali-Metal Fluorides Measuring Intramolecular Charge Transfer via Coherent Generation of THz Radiation Absolute Heat of Formation and Singlet−Triplet Splitting for HCCN Chemical Reactions of Nitrogen Oxides on the Surface of Oxide, Carbonate, Soot, andMineral Dust Particles: Implications for the Chemical Balance of the Troposphere Density Functional Theory Study for the Cycloaddition of 1,3-Butadienes with DimethylAcetylenedicarboxylate. Polar Stepwise vs Concerted Mechanisms Infrared Spectra of Size Selected Cl-−(D2)n and F-−(D2)n Anion Clusters Orientation Dependence in C60 Surface-Impact Collisions A Flexible All-Atom Model of Dimethyl Sulfoxide for Molecular Dynamics Simulations Self-Association of Formamide in Carbon Tetrachloride Solutions: An Experimental andQuantum Chemistry Vibrational and Thermodynamic Study Theoretical Study on the Structure, Stability, and Tautomerism of 2-Aza-21-carba-23-X(thiaor oxa)-Porphyrin Isomers Photodissociation of ClONO2 at 235 nm: Final Product Yields and Energy Partitioning Evaluation of Electronic Coupling in a Donor-Bridge-Acceptor Molecule: A FluorescencePolarization Anisotropy Investigation A Theoretical Investigation of Excited-State Properties of the Adenine−Uracil Base Pair Effects of Vibrational Frequency Correlations on Two-Dimensional Infrared Spectra Phosphorus NMR Chemical Shifts with Self-Interaction Free, Gradient-Corrected DFT

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