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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_41/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_41/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society Copyright © 2007 Robert E. Wyatt
issue	41
Rights Holder	American Chemical Society Robert E. Wyatt
is Is Part Of of	Vibrational Levels of Ar4: New Odd-Parity Bosonic States Variational Calculation of Specific, Highly Excited Vibrational States in DFCO: Comparison with Experimental Data Students, Postdoctoral Researchers, and Senior Collaborators ofRobert E. Wyatt Quantum Wavepacket Ab Initio Molecular Dynamics: An Approach for ComputingDynamically Averaged Vibrational Spectra Including Critical Nuclear Quantum Effects Dissociative Double Ionization of CO2: Dynamics, Energy Levels, and Lifetime Why Are Some ML2 Molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) Bent while Others areLinear? Implications of the Pseudo Jahn−Teller Effect The Short Story of My Life and My Career in Quantum Propagation Independent Trajectory Implementation of the Semiclassical Liouville Method: Applicationto Multidimensional Reaction Dynamics Scaled Density Functional Theory Correlation Functionals On the Importance of the Classically Forbidden Region in Calculations of the RelaxationRate for High-Frequency Vibrations: A Model Calculation A Hybrid Hydrodynamic−Liouvillian Approach to Mixed Quantum−Classical Dynamics: Application to Tunneling in a Double Well Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics Reduced-Order Modeling, Error Estimation, and the Role of the Start-Vector: The Recursive Residue Generation Method Revisited Photoinduced Vibrational Coherence Transfer in Molecular Dimers Nearside−Farside and Local Angular Momentum Analyses of Time-Independent ScatteringAmplitudes for the H + D2 (vi = 0, ji = 0) → HD (vf = 3, jf = 0) + D Reaction Quantum Trajectories from a Discrete−Variable Representation Method Analysis of Barrier Scattering with Real and Complex Quantum Trajectories Curriculum Vitae of Robert E. Wyatt Quantum Dynamics with Bohmian Trajectories The Shape of the Potential Energy Surface and the Thermal Rate Coefficients of the N +N2 Reaction Phase Space Analysis of Formaldehyde Dissociation Branching and Comparison withQuasiclassical Trajectory Calculations Solid−Solid Structural Transformations in Lennard-Jones Clusters: Accurate Simulationsversus the Harmonic Superposition Approximation HN2(2A‘) Electronic Manifold. I. A Global ab Initio Study of First Two States Unified Derivation of Bohmian Methods and the Incorporation of Interference Effects Thermodynamics of Atomic Clusters Using Variational Quantum Hydrodynamics Langevin Dynamics Simulations of the Diffusion of Molecular Knots in Tensioned PolymerChains Generalization of Classical Mechanics for Nuclear Motions on Nonadiabatically CoupledPotential Energy Surfaces in Chemical Reactions Effects of Microsolvation on the Adenine−Uracil Base Pair and Its Radical Anion: Adenine−Uracil Mono- and Dihydrates Representing and Selecting Vibrational Angular Momentum States for QuasiclassicalTrajectory Chemical Dynamics Simulations Scientific Publications of Robert E. Wyatt Thermochemistry and Accurate Quantum Reaction Rate Calculations for H2/HD/D2 + CH3 Analysis of the HO2 Vibrational Spectrum on an Accurate Ab Initio Potential EnergySurface Quantum Dynamical Simulation of Electron-Transfer Reactions in an AnharmonicEnvironment Stabilization of Quantum Energy Flows within the Approximate Quantum TrajectoryApproach Atomic Correlation Energy from the Electron Density at the Nucleus

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