Journal of Physical Chemistry A, V 108, N 41, October 14.
GERT D. BILLING MEMORIAL ISSUE
GUEST EDITORS: MICHAEL BAER, CECILIA COLETTI,
GEORGE C. SCHATZ, SOREN TOXVAERD, AND LICHANG WANG
Biography of Gert D. Billing
M. Baer, C. Coletti, G.C. Schatz,
S. Toxvaerd, and L. Wang
pp 8553 - 8553;
Scientific Contributions of Gert Due Billing
Michael Baer, Cecilia Coletti, George C. Schatz,
Sren Toxvaerd, Lichang Wang, C. Coletti,
G.C. Schatz, S. Toxvaerd, and L. Wang
pp 8554 - 8558;
Awards, Honors, and
Activities of Gert D. Billing
pp 8559 - 8559;
Students and Colleagues
of Gert D. Billing
pp 8560 - 8560;
Publications of Gert D. Billing
pp 8561 - 8570;
ARTICLES
Role of Surface Relaxation in the
Eley-Rideal Formation of H2 on a Graphite Surface
S. Morisset, F. Aguillon, M. Sizun, and V. Sidis
pp 8571 - 8579;
Constrained Adiabatic Trajectory Method
Georges Jolicard, David Viennot,
and John P. Killingbeck
pp 8580 - 8589;
Vector-Algebra Approach To Obtain
Molecular Fields from Conical Intersections:
Numerical Applications to H + H2 and Na + H2
A. Vibok, T. Vertesi, E. Bene,
G. J. Halasz, and M. Baer
pp 8590 - 8598;
Resonance Features in the Isotopic
Branching Ratios for the F + HD Reaction
Haya Kornweitz and Avigdor Persky
pp 8599 - 8604;
Structures of Platinum Clusters:
Planar or Spherical?
Li Xiao and Lichang Wang
pp 8605 - 8614;
MRCI Calculations of the Lowest
Potential Energy Surface for CH3OH
and Direct ab Initio Dynamics Simulations
of the O(1D) + CH4 Reaction
Hua-Gen Yu and James T. Muckerman
pp 8615 - 8623;
The n * Electronic Transition in
Microsolvated Formaldehyde.
A Coupled Cluster and Combined
Coupled Cluster/Molecular Mechanics Study
Jacob Kongsted, Anders Osted,
Thomas Bondo Pedersen,
Kurt V. Mikkelsen, and Ove Christiansen
pp 8624 - 8632;
Attachment and Solvation of the H- Dopant:
Structures of NenH- and ArnH- Clusters
from Energy-Optimizing Calculations
F. Sebastianelli and F. A. Gianturco
pp 8633 - 8640; (
Droplet Formation in a Ternary-Fluid
Mixture: Spontaneous Emulsion and
Micelle Formation
S. Toxvaerd
pp 8641 - 8645;
Linear Response Properties of Liquid
Water Calculated Using CC2 and CCSD
within Different Molecular Mechanics Methods
Anders Osted, Jacob Kongsted,
Kurt V. Mikkelsen, and Ove Christiansen
pp 8646 - 8658;
A Theoretical Study of the Reaction
between CH3S(OH)CH3 and O2
A. Gross, I. Barnes, R. M. Srensen,
J. Kongsted, and K. V. Mikkelsen
pp 8659 - 8671;
Theoretical Reaction Dynamics Study
of the Effect of Vibrational Excitation
of CO on the OH + CO H + CO2 Reaction
Rosendo Valero and Geert-Jan Kroes
pp 8672 - 8681;
Structure and Energetics of LiBH4 and
Its Surfaces: A First-Principles Study
Qingfeng Ge
pp 8682 - 8690;
Correlation Function Quantum Monte
Carlo Study of the Excited Vibrational
States of H5O2+
Hyung Min Cho and Sherwin J. Singer
pp 8691 - 8702;
Axially Nonadiabatic Channel Treatment
of Low-Energy Capture in Ion-Rotating
Diatom Collisions
E. I. Dashevskaya, I. Litvin, E. E. Nikitin,
I. Oref, and J. Troe
pp 8703 - 8712;
The JWKB Method in Central-Field
Problems. Planar Radial Wave Equation
and Resolution of Kramers' Dilemma
Jens P. Dahl and Wolfgang P. Schleich
pp 8713 - 8720;
Dynamics Study of the O + HO2 Reaction
Using Two DMBE Potential Energy
Surfaces: The Role of Vibrational Excitation
Dora M. Silveira, Pedro J. S. B. Caridade,
and Antonio J. C. Varandas
pp 8721 - 8730;
Long-Range Interaction in Some Simple
Open-Shell Systems, Including Rare-Gas
Sulfides: Features of Post-Adiabatic
Potentials and Couplings
Mikhail B. Sevryuk, Lev Yu. Rusin,
Simonetta Cavalli, and Vincenzo Aquilanti
pp 8731 - 8742;
Determination of the Van Hove Spectrum
of Liquid He(4): An Application of the
Feynman-Kleinert Linearized Path
Integral Methodology
Jens Aage Poulsen, Gunnar Nyman,
and Peter J. Rossky
pp 8743 - 8751;
A Full Dimensional Quasiclassical
Trajectory Study of Cl + CH4 Rate Coefficients
Ernesto Garcia, Carlos Sanchez,
Amaia Saracibar, and Antonio Lagana
pp 8752 - 8758;
Quantum Scattering Calculations
of the H + O2 O + OH Reaction
Renat A. Sultanov and N. Balakrishnan
pp 8759 - 8764;
Mixed Quantum-Classical Scattering
Dynamics of CF3Br
Nikola Markovi and Andreas Back
pp 8765 - 8771;
Importance of Intersystem Crossing
in the S(3P, 1D) + H2 SH + H Reaction
Biswajit Maiti, George C. Schatz,
and Gyorgy Lendvay
pp 8772 - 8781;
Investigation of Ergodic Character of
Quantized Vibrational Motion
Andreas Back, Sture Nordholm,
and Gunnar Nyman
pp 8782 - 8794;
The Static Polarizability and Second
Hyperpolarizability of Fullerenes
and Carbon Nanotubes
Lasse Jensen, Per-Olof Astrand,
and Kurt V. Mikkelsen
pp 8795 - 8800;
Effects of Alkyl-Group Substitution on
the Proton-Transfer Barriers in
Ammonium and Hydroxylammonium
Nitrate Salts
Saman Alavi and Donald L. Thompson
pp 8801 - 8809;
Adsorption Site and Surface Temperature
Effects in CO Formation on Pt(111):
A New Semiclassical Study
M. Cacciatore, E. Christoffersen, and M. Rutigliano
pp 8810 - 8818;
Multiple Configuration Quantum/Classical
Studies of the Photodissociation
Dynamics of Ar-H2O
Feng Chen and Anne B. McCoy
pp 8819 - 8826;
Full Quantum Dynamics of Atom-Diatom
Chemical Reactions in Hyperspherical
Elliptic Coordinates
Hideyuki Kamisaka, Oleg I. Tolstikhin,
and Hiroki Nakamura
pp 8827 - 8839;
Suppressing the Spreading of Continuum
Wave Packets via Chirped Laser Pulses
Corneliu Manescu, Jeffrey L. Krause,
Klaus B. Mller, and Niels E. Henriksen
pp 8840 - 8847;
Generalized Sturmian Solutions for
Many-Particle Schrodinger Equations
John Avery and James Avery
pp 8848 - 8851;
Control of Bond Excitation and
Dissociation in HCN Using Laser Pulses
Richard Brezina and Wing-Ki Liu
pp 8852 - 8859;
Properties of the Baranger
Thawed Gaussian Propagator
M. S. Child, P. Sherratt, and Y. K. Sturdy
pp 8860 - 8865;
Statistical Mechanics of Mean Field
Ehrenfest Quantum/Classical Molecular
Dynamics: The Damped Harmonic Oscillator
Gunter Kab
pp 8866 - 8877;
Renormalized Coupled-Cluster
Calculations of Reactive Potential
Energy Surfaces: The BeFH System
Michael J. McGuire, Piotr Piecuch,
Karol Kowalski, Stanisaw A. Kucharski,
and Monika Musia
pp 8878 - 8893;
Hyperspherical Harmonics for
Tetraatomic Systems. 2.
The Weak Interaction Region
Aron Kuppermann
pp 8894 - 8904;
Analysis of the Ultraviolet Absorption
Cross Sections of Six Isotopically
Substituted Nitrous Oxide Species
Using 3D Wave Packet Propagation
Shinkoh Nanbu and Matthew S. Johnson
pp 8905 - 8913;
Sulfuric Acid and Sulfuric Acid Hydrates
in the Gas Phase: A DFT Investigation
Anas Al Natsheh, Alexey B. Nadykto,
Kurt V. Mikkelsen, Fangqun Yu, and
Juhani Ruuskanen
pp 8914 - 8929;
On the Coupling of Vibrational
Relaxation with the Dissociation-
Recombination Kinetics: From
Dynamics to Aerospace Applications
M. Capitelli, G. Colonna, and F. Esposito
pp 8930 - 8934;
Application of the END Theory to the
H + D2 HD + D Reaction
R. Cabrera-Trujillo, Y. Ohrn,
E. Deumens, and J. R. Sabin
pp 8935 - 8940;
Electronic Interaction Anisotropy
between Atoms in Arbitrary Angular
Momentum States
R. V. Krems, G. C. Groenenboom,
and A. Dalgarno
pp 8941 - 8948;
Systematics of Collision-Induced
Light Emission from Hot Matter
A. Gross, Mikael Kjellberg,
and R. D. Levine
pp 8949 - 8953;
Approaches to Wave Packet
Imaging Using Femtosecond
Ionization Spectroscopy
S. Grafe, D. Scheidel, V. Engel,
N. E. Henriksen, and K. B. Mller
pp 8954 - 8960;
Sign Change of Hyperpolarizabilities
of Solvated Water, Revised: Effects
of Equilibrium and Nonequilibrium Solvation
Kristian O. Sylvester-Hvid,
Kurt V. Mikkelsen, Patrick Norman,
Dan Jonsson, and Hans Agren
pp 8961 - 8965;
Kinetic Isotope Effects in the Reactions
of D Atoms with CH4, C2H6, and
CH3OH: Quantum Dynamics Calculations
Boutheina Kerkeni and David C. Clary
pp 8966 - 8972;
The Effect of the Atomic Dynamics in
a Crystalline Catalyst on the Rate
Constant for a Catalyzed Chemical Reaction
F. Y. Hansen
pp 8973 - 8979;
A Global ab Initio Potential Energy
Surface for Formaldehyde
Xiubin Zhang, Shengli Zou,
Lawrence B. Harding, and Joel M. Bowman
pp 8980 - 8986;
Scattering and Bound States:
A Lorentzian Function-Based
Spectral Filter Approach
Amrendra Vijay, Donald J. Kouri,
and David K. Hoffman
pp 8987 - 9003;