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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_32/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_32/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	32
Rights Holder	American Chemical Society
is Is Part Of of	CH Stretching Vibrational Overtone Spectra of 1,3,5,7-Cyclooctatetraene and1,1,1-Trichloroethane Theoretical Study on the Photochemical Behavior of 4-(Dimethylamino)benzonitrile Understanding Solid-State Reactions of Organic Crystals with Density FunctionalTheory-Based Concepts The Electronic and Vibrational Structure of Endohedral Tm3N@C80 (I) Fullerene − Proofof an Encaged Tm3+ The C2H3 + O2 Reaction Revisited: Is Multireference Treatment of the Wave FunctionReally Critical? Compartmental Modeling of Reversible Intermolecular Two-State Excited-State ProcessesCoupled with Rotational Diffusion or with Added Quencher Impacts of Quantization on the Properties of Liquid Water Solid-State 93Nb and 13C NMR Investigations of Half-Sandwich Niobium(I) and Niobium(V)Cyclopentadienyl Complexes G3(MP2) Study of the C3H6O+• Isomers Fragmented from 1,4-Dioxane+• Doppler-Free Two-Photon Excitation Spectroscopy and the Zeeman Effects. Perturbationsin theandBands of the S1 ← S0 Transition of C6D6 Infrared Photodissociation Spectroscopy of Mg+(H2O)Arn Complexes: Isomers inProgressive Microsolvation Charge-Transfer Complexation as a General Phenomenon in the Copigmentation ofAnthocyanins Photophysics of Aromatic Molecules with Low-Lying πσ* States: Excitation-EnergyDependence of Fluorescence in Jet-Cooled Aromatic Nitriles Spectroscopic and Quantum Chemical Study of Cyclopropylmethylphosphine, a Candidatefor Intramolecular Hydrogen Bonding Reaction Paths of the Water-Assisted Neutral Hydrolysis of Ethyl Acetate Triazolium-Based Energetic Ionic Liquids Product Study of the Photolysis of Ketene and Ethyl Ethynyl Ether at 193.3 nm Photodissociation Mechanism of Nitramide: A CAS-SCF and MS-CASPT2 Study Computational Studies of DNA Photolyase Theoretical Studies of Alkyl Radicals in the NaY and HY Zeolites Magnetic Anisotropy of [Mo(CN)7]4- Anions and Fragments of Cyano-Bridged MagneticNetworks Nonconventional Hydrogen Bonding between Clusters of Gold and Hydrogen Fluoride Metal Ion Binding by a Bicyclic Diamide: Deep UV Raman Spectroscopic Characterization Innershell Absorption Spectroscopy of Amino Acids at All Relevant Absorption Edges Cluster Size Selectivity in the Product Distribution of Ethene Dehydrogenation on NiobiumClusters Mechanisms of Electron-Ion Recombination of N2H+/N2D+ and HCO+/DCO+ Ions: Temperature Dependence and Isotopic Effect Kramers−Kronig Transformation for Optical Rotatory Dispersion Studies Influence of Monolayer Amounts of HNO3 on the Evaporation Rate of H2O over Ice in theRange 179 to 208 K: A Quartz Crystal Microbalance Study Mid-infrared Extinction Spectra and Optical Constants of Supercooled Water Droplets Role of Donor−Acceptor Strengths and Separation on the Two-Photon AbsorptionResponse of Cytotoxic Dyes: A TD-DFT Study Optical Constants of HNO3/H2O and H2SO4/HNO3/H2O at Low Temperatures in theInfrared Region Probing Excited-State Dynamics and Intramolecular Proton Transfer in1-Acylaminoanthraquinones via the Intermolecular Solvent Response Tuning of Electronic Structures of Poly(p-phenylenevinylene) Analogues of Phenyl, Thienyl,Furyl, and Pyrrolyl by Double-Bond Linkages of Group 14 and 15 Elements Density Functional Theory and the Correlation Consistent Basis Sets: The Tight d Effecton HSO and HOS Electronic States of SnS and SnS+: A Configuration Interaction Study Intramolecular Nitro-Assisted Proton Transfer in Photoirradiated2-(2‘,4‘-Dinitrobenzyl)pyridine: Polarized Optical Spectroscopic Study and ElectronicStructure Calculations Global Investigation on the Potential Energy Surface of CH3CN: Application of the ScaledHypersphere Search Method 13C NMR Pattern of Sc3N@C68. Structural Assignment of the First Fullerene with AdjacentPentagons

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