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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_50/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_50/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	50
Rights Holder	American Chemical Society
is Is Part Of of	Direct Dynamics Trajectory Study of the Reaction of Formaldehyde Cation with D2: Vibrational and Zero-Point Energy Effects on Quasiclassical Trajectories Length and Substituent-Scrambling Energies of Parent and Halogen-SubstitutedConjugated Polyynes Singlet−Triplet Splittings and Ground- and Excited-State Electron Affinities of SelectedCyanosilylenes, XSiCN (X = H, F, Cl, CH3, SiH3, CN), Dissociation of Benzene Dication [C6H6]2+: Exploring the Potential Energy Surface List of Publications by Jack Simons1969 through 2005 Stable and Long-Lived Trianions in the Gas Phase Interactions in Open-Shell Clusters: Ab Initio Study of Pre-reactive Complex O(3P) + HCl Dynamics of Charge-Transfer-to-Solvent Precursor States in I-(water)n (n = 3−10) ClustersStudied with Photoelectron Imaging Quadratic Response Functions in a Second-Order Polarization Propagator Framework A Tribute to Jack Simons Moment Analysis Method As Applied to the 2S → 2P Transition in Cryogenic AlkaliMetal/Rare Gas Matrices MX3- Superhalogens (M = Be, Mg, Ca; X = Cl, Br): A Photoelectron Spectroscopic andab Initio Theoretical Study Complexation of the Carbonate, Nitrate, and Acetate Anions with the Uranyl Dication: Density Functional Studies with Relativistic Effective Core Potentials Electronic Structure Differences in ZrO2 vs HfO2 A General Nonlinear Expansion Form for Electronic Wave Functions Nucleation from a Supercooled Binary Mixture Studied by Crossed Polarizers Photoelectron Spectra and Ion Chemistry of Imidazolide Quantum Drude Oscillator Model for Describing the Interaction of Excess Electrons withWater Clusters: An Application to (H2O)13- Students, Postdoctoral Researchers, and Senior Collaborators of Jack Simons Temperature-Dependent Photoelectron Spectroscopy of Methyl Benzoate Anions: Observation of Steric Effect in o-Methyl Benzoate Mechanism of the Aminolysis of Methyl Benzoate: A Computational Study Intermolecular Potential of the O2−O2 Dimer. An ab Initio Study and Comparison withExperiment Highly Compact Wave Functions for He-Like Systems Cation−π Interactions with a Model for the Side Chain of Tryptophan: Structures andAbsolute Binding Energies of Alkali Metal Cation−Indole Complexes Sequential Bond Energies of Fe+(CO2)n, n = 1−5, Determined by ThresholdCollision-Induced Dissociation and ab Initio Theory Solvent Effects on Interfacial Electron Transfer from Ru(4,4‘-dicarboxylicacid-2,2‘-bipyridine)2(NCS)2 to Nanoparticulate TiO2: Spectroscopy and SolarPhotoconversion Infrared Spectrum and Structural Assignment of the Water Trimer Anion p-Difluorobenzene−Argon Ground State Intermolecular Potential Energy Surface Analysis of Local Anharmonicity Using Gaussian Model Potentials and Cartesian OscillatorBasis Sets: Example, HCN Stabilization of Very Rare Tautomers of 1-Methylcytosine by an Excess Electron Derivation of Quantum Langevin Equation from an Explicit Molecule−Medium Treatmentin Interaction Picture Chemical Bonding in Si52- and NaSi5- via Photoelectron Spectroscopy and ab InitioCalculations Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers Molecular Dynamics of Complex Gas-Phase Reactive Systems by Time-Dependent Groups Ab Initio Electron Propagator Calculations on the Ionization Energies of Free BasePorphine, Magnesium Porphyrin, and Zinc Porphyrin An Efficient and Accurate Implementation of Centroid Molecular Dynamics Using aGaussian Approximation Autobiography of Jack Simons Monoligated Monovalent Ni: the 3dNi9 Manifold of States of NiCu and Comparison to the3d9 States of AlNi, NiH, NiCl, and NiF Reappraisal of the Role of Size-Extensive Normalization for Multireference Coupled Cluster(MRCC) Theory Using General Model Space: A Valence Universal MRCC Approach Quasiresonance: Switching Internal Energy Transfer On and Off

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