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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_11/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_11/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	11
Rights Holder	American Chemical Society
is Is Part Of of	Electronic Band Structure of Tetracene−TCNQ and Perylene−TCNQ Compounds HCl Hydrates as Model Systems for Protonated Water He I Photoelectron Spectra and Valence Synchrotron Photoionization forXC(O)SCl (X = F, Cl) Compounds Quantum Dynamics of Electronic Excitations in Biomolecular Chromophores: Role of theProtein Environment and Solvent Infrared Multiphoton Dissociation Spectroscopy of Cationized Serine: Effects ofAlkali-Metal Cation Size on Gas-Phase Conformation Photoinduced Electron Transfer in Coaggregates of Dicyanonaphthalene and Pyrazoline 3s Rydberg and Cationic States of Pyrazine Studied by Photoelectron Spectroscopy Infrared Multiphoton Dissociation Spectroscopy of Cationized Threonine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation Ab Initio Structures for 90°-Twisted s-trans-1,3-Butadiene and Cyclooctatetraene: TheNaked sp2−sp2 Bond N2O5 Reactive Uptake on Aqueous Sulfuric Acid Solutions Coated with Branched andStraight-Chain Insoluble Organic Surfactants Strong Slowing Down of Water Reorientation in Mixtures of Water and Tetramethylurea Theoretical Study of the [2+2+2+1] Cycloaddition Mechanism of Enediynes andCarbon Monoxide Catalyzed by Rhodium Role of Phenyl Radicals in the Growth of Polycyclic Aromatic Hydrocarbons Comparative Quantum Mechanics/Molecular Mechanics (QM/MM) and Density FunctionalTheory Calculations on the Oxo−Iron Species of Taurine/α-Ketoglutarate Dioxygenase Strain in Biphenylene and Some of Its Derivatives Hygroscopic Growth of Multicomponent Aerosol Particles Influenced by Several Cycles ofRelative Humidity Spectroscopic Studies of Solutes in Aqueous Solution Novel 1,3-Dipolar Cycloadditions of Dinitraminic Acid: Implications for the ChemicalStability of Ammonium Dinitramide Determination of Complex Reaction Mechanisms. Analysis of Chemical, Biological andGenetic Networks Role of s−p Orbital Mixing in the Bonding and Properties of Second-Period DiatomicMolecules Dynamics of Hyperthermal Collisions of O(3P) with CO DFT-Based Linear Solvation Energy Relationships for the Infrared Spectral Shifts ofAcetone in Polar and Nonpolar Organic Solvents A DFT Perspective on the Structures and Electronic Spectra of the Orange and BlueIsomers of Photochromic Dithizonatophenylmercury(II) Electrostatic and Covalent Contributions in the Coordination Bonds of Transition MetalComplexes Spectroscopic and Theoretical Study of the Electronic Structure of Curcumin and RelatedFragment Molecules Structure of Solvated Fe(CO)5: Complex Formation during Solvation in Alcohols Pronounced Non-Condon Effect as the Origin of the Quantum Beat Observed in theTime-Resolved Absorption Signal from Excited-State cis-Stilbene Theoretical Study of the Structural and Electronic Properties of SimGen and SimGen- (s = m+ n ≤ 7) Clusters Role of the Antenna in Tissue Selective Probes Built of Lanthanide−Organic Chelates Conformational Stability from Variable Temperature FT-IR Spectra of Krypton Solutions,r0 Structural Parameters, Vibrational Assignment, and abInitio Calculations of4-Fluoro-1-butene Optical Rotatory Dispersion of 2,3-Hexadiene and 2,3-Pentadiene Theoretical Study on the Structure and Stability of Some Unusual Boron−Nitrogen Helices Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes inAqueous Solution Density Embedded VB/MM: A Hybrid ab Initio VB/MM with Electrostatic Embedding EPR Line Shifts and Line Shape Changes Due to Spin Exchange of Nitroxide-Free Radicalsin Liquids 4. Test of a Method to Measure Re-Encounter Rates in Liquids Employing 15Nand 14N Nitroxide Spin Probes Excited Singlet States of Covalently Bound, Cofacial Dimers and Trimers ofPerylene-3,4:9,10-bis(dicarboximide)s The Solvation of Mg2+ with Gas-Phase Clusters Composed of Alcohol Molecules Study of the Valence Wave Function of Thiophene with High Resolution ElectronMomentum Spectroscopy and Advanced Dyson Orbital Theories Kinetics of Heterogeneous Reactions of HO2 Radical at Ambient Concentration Levels with(NH4)2SO4 and NaCl Aerosol Particles Quasi-Steady-State Laws in Enzyme Kinetics Superoxide Radical Anion Adduct of 5,5-Dimethyl-1-pyrroline N-Oxide (DMPO). 3. Effectof Mildly Acidic pH on the Thermodynamics and Kinetics of Adduct Formation Theoretical Study of Neutral, Anionic, and Cationic Uracil−Ag and Uracil−Au Systems: Nonconventional Hydrogen Bonds

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