The Journal of Chemical Physics, 2003, V 119, N 19, November 15.
Spectroscopic characterization of HOONO and its binding energy via
infrared action spectroscopy
Ilana B. Pollack, Ian M. Konen, Eunice X. J. Li,
and Marsha I. Lester
pp. 9981-9984
Dynamics of the gas–liquid interfacial reaction of O(3P) atoms with hydrocarbons
Hailey Kelso, Sven P. K. Kohler, David A. Henderson, and Kenneth G. McKendrick
pp. 9985-9988
State-to-state photodissociation dynamics of OH radical via the A 2+ state:
Fine-structure distributions of the O(3PJ) product
Weidong Zhou, Yan Yuan, and Jingsong Zhang
pp. 9989-9992
Robust control of quantum information
Marco A. Pravia, Nicolas Boulant, Joseph Emerson, Amro Farid, Evan M. Fortunato,
Timothy F. Havel, R. Martinez, and David G. Cory
pp. 9993-10001
Interpolating moving least-squares methods for fitting potential energy
surfaces: Detailed analysis of one-dimensional applications
Gia G. Maisuradze, Donald L. Thompson, Albert F. Wagner,
and Michael Minkoff
pp. 10002-10014
Transcorrelated method for electronic systems coupled with variational
Monte Carlo calculation
Naoto Umezawa and Shinji Tsuneyuki
pp. 10015-10031
Time-resolved study of the symmetric SN2-reaction I– + CH3I
Roland Wester, Arthur E. Bragg, Alison V. Davis, and Daniel M. Neumark
pp. 10032-10039
Influence of collision energy on the N(2D) + O2O(3P) + NO reaction dynamics:
A quasiclassical trajectory study involving four potential energy surfaces
Irene Miquel, Jordi Hernando, R. Sayos, and Miguel Gonzalez
pp. 10040-10047
Zero temperature quantum properties of small protonated water clusters
(H2O)nH+ (n = 1–5)
Massimo Mella and David C. Clary
pp. 10048-10062
An ab initio investigation on the vertical electron detachment energies
of semiconductor-alkali binary anions EnA– (A = K, Na, Li; E = Ge, Si; n = 1–10)
Si-Dian Li, Guang-Ming Ren, and Zhi-Hao Jin
pp. 10063-10068
Experimental evidence for the 7,7,8,8-tetracyano-p-quinodimethane
dianion in vacuo
Steen Brondsted Nielsen and Mogens Brondsted Nielsen
pp. 10069-10072
Ab initio quantum chemical calculations for fullerene cages with large holes
Yun Hang Hu and Eli Ruckenstein
pp. 10073-10080
Ab initio calculation of interaction nature of borazine (B3N3H6) dimer
Shun-ichi Kawahara, Seiji Tsuzuki, and Tadafumi Uchimaru
pp. 10081-10087
Transition state spectroscopy of the excited electronic states of Li–HF
Alfredo Aguado, Miguel Paniagua, Cristina Sanz, and Octavio Roncero
pp. 10088-10104
Structural and thermochemical properties of the hydroxymethyl (CH2OH)
radical: A high precision ab initio study
Aleksandr V. Marenich and James E. Boggs
pp. 10105-10114
The Renner-Teller effect and Sears resonances in the ground state of the
GeCH and GeCD free radicals
Sheng-Gui He, Haiyang Li, Tony C. Smith, Dennis J. Clouthier, and Anthony J. Merer
pp. 10115-10124
Fragmentation mechanisms of aqueous clusters charged with ions
Styliani Consta, Kirkland R. Mainer, and William Novak
pp. 10125-10132
Improving ab initio infrared spectra of glucose–water complexes by
considering explicit intermolecular hydrogen bonds
Teppei Suzuki and Takayuki Sota
pp. 10133-10137
Large anharmonic effects in the infrared spectra of the symmetrical
CH3NO·(H2O) and CH3CO·(H2O) complexes
Evgeniy M. Myshakin, Kenneth D. Jordan, Edwin L. Sibert III ,
and Mark A. Johnson
pp. 10138-10145
Mode-dependent vibrational autoionization of NO2
Patrice Bell, F. Aguirre, E. R. Grant, and S. T. Pratt
pp. 10146-10157
Vibrationally mediated dissociation dynamics of H2O in
the vOH = 2 polyad
Sergey A. Nizkorodov, Michael Ziemkiewicz, Tanya L. Myers,
and David J. Nesbitt
pp. 10158-10168
Spectroscopic characterization of the first singlet (A 1B1) excited
state of 7Li16O7Li
D. Bellert, D. K. Winn, and W. H. Breckenridge
pp. 10169-10174
A state-selected study of the H(X,v+ = 0–17,N+ = 1) + Ne proton transfer
reaction using the pulsed-field ionization–photoelectron–secondary
ion coincidence scheme
T. Zhang, X.-M. Qian, X. N. Tang, C. Y. Ng, Y. Chiu, D. J. Levandier,
J. S. Miller, and R. A. Dressler
pp. 10175-10185
The effect of spin–orbit coupling in complex forming O(3P) +O2 collisions
Motomichi Tashiro and Reinhard Schinke
pp. 10186-10193
The low-lying electronic states of FeO+: Rotational analysis of the
resonance enhanced photodissociation spectra of the 67/2X 6+ system
Fernando Aguirre, John Husband, Christopher J. Thompson,
Kay L. Stringer, and Ricardo B. Metz
pp. 10194-10201
Effect of solvent polarity on the photophysical properties of coumarin-1 dye
Atanu Barik, Sukhendu Nath, and Haridas Pal
pp. 10202-10208
Effects of longitudinal quadrupoles on the phase behavior of a Gay–Berne fluid
Ian M. Withers
pp. 10209-10223
Cavity formation in the superheated Lennard-Jones liquid and its connection
to homogeneous bubble nucleation: A density-functional theory study
Sudeep Punnathanam and David S. Corti
pp. 10224-10236
Computer modeling of melting of ionized ice microcrystals
Elena N. Brodskaya, Andrei V. Egorov, Alexander P. Lyubartsev,
and Aatto Laaksonen
pp. 10237-10246
A density functional theory investigation of 1,1-diamino-2,2-dinitroethylene
dimers and crystal
Xue-Hai Ju, He-Ming Xiao, and Qi-Ying Xia
pp. 10247-10255
A simulation study of the quantum hard-sphere Yukawa fluid
Luis M. Sese and Lorna E. Bailey
pp. 10256-10267
Generalized equation of state and exclusion factor for
multicomponent systems
Anatoly I. Rusanov
pp. 10268-10273
Conformational space annealing and an off-lattice frustrated model protein
Seung-Yeon Kim, Sung Jong Lee, and Jooyoung Lee
pp. 10274-10279
Predictions of molecular chirality and helical twisting powers:
A theoretical study
David J. Earl and Mark R. Wilson
pp. 10280-10288
Boundary element methods for dielectric cavity construction and integration
Feiwu Chen and Daniel M. Chipman
pp. 10289-10297
State-resolved dynamics of 248 nm methyl-iodide fragmentation on GaAs(110)
Abneesh Srivastava and Richard M. Osgood, Jr.
pp. 10298-10306
Reaction of tungsten anion clusters with molecular and atomic nitrogen
Young Dok Kim, Davor Stolcic, Matthias Fischer, and Gerd Gantefor
pp. 10307-10312
Silicon and metal nanotemplates: Size and species dependence of
structural and electronic properties
G. K. Gueorguiev and J. M. Pacheco
pp. 10313-10317
Multiconfigurational self-consistent field study of the silicon carbide
(001) surface
Hiroyuki Tamura and Mark S. Gordon
pp. 10318-10324
Nuclear spin polarization transfer across an organic-semiconductor interface
Lucas Goehring and Carl A. Michal
pp. 10325-10329
Classical density functional study of multisite amphiphile mesostructures
P. S. Christopher and David W. Oxtoby
pp. 10330-10338
Langmuir films of normal-alkanes on the surface of liquid mercury
H. Kraack, B. M. Ocko, P. S. Pershan, E. Sloutskin, and M. Deutsch
pp. 10339-10349
A continuum approach to electron solvation by a layer of polar adsorbates
K. L. Sebastian, Aniruddha Chakraborty, and M. Tachiya
pp. 10350-10357
Nuclear magnetic resonance study of the vapor phase contribution
to diffusion in nanoporous glasses partially filled with water
and cyclohexane
Ioan Ardelean, Carlos Mattea, German Farrher,
Surjani Wonorahardjo, and Rainer Kimmich
pp. 10358-10362
Disjoining pressure of thin films on spherical core particles
Ismo Napari and Ari Laaksonen
pp. 10363-10366
Complete analysis of the angular momentum distribution of
molecules desorbing from a surface
S. Borowski, T. Kluner, and H.-J. Freund
pp. 10367-10375
Phase field theory of crystal nucleation in hard sphere liquid
Laszlo Granasy, Tamas Pusztai, Gyula Toth, Zoltan Jurek,
Massimo Conti, and Bjorn Kvamme
pp. 10376-10382
Osmotic de-swelling of ionic microgel particles
A. Fernandez-Nieves, A. Fernandez-Barbero, B. Vincent,
and F. J. de las Nieves
pp. 10383-10388
Dissociative adsorption of pyrrole on Si(111)-(7?7)
Ze Liang Yuan, Xian Feng Chen, Zhong Hai Wang,
Kian Soon Yong, Yong Cao, and Guo Qin Xu
pp. 10389-10395
Low energy electron interaction with free and bound SF5CF3:
Negative ion formation from single molecules, clusters and nanofilms
Richard Balog, Michal Stano, Paulo Limao-Vieira,
Constanze Konig, Ilko Bald, Nigel J. Mason, and Eugen Illenberger
pp. 10396-10403
A model for persistent hole burned spectra and hole growth kinetics
that includes photoproduct absorption: Application to free base
phthalocyanine in hyperquenched glassy ortho-dichlorobenzene at 5 K
T. Reinot, N. C. Dang, and G. J. Small
pp. 10404-10414
A joint theoretical and experimental study on the electronic properties
of phenyl-capped 3,4-ethylenedioxythiophene oligomers
W. Osikowicz, A. W. Denier van der Gon, X. Crispin, M. P. de Jong,
R. Friedlein, L. Groenendaal, M. Fahlman, D. Beljonne,
R. Lazzaroni, and W. R. Salaneck
pp. 10415-10420
Dynamical signature of two "ideal glass transitions" in nematic
liquid crystals
Hu Cang, Jie Li, V. N. Novikov, and M. D. Fayer
pp. 10421-10427
Conformational behavior of a single polymer chain confined by a
two-dimensional harmonic potential in good solvents
Chwen-Yang Shew
pp. 10428-10437
Matrix-induced nanoparticle interactions in a polymer melt:
A molecular dynamics simulation study
Dmitry Bedrov, Grant D. Smith, and James S. Smith
pp. 10438-10447
Comment on "A simple molecular thermodynamic theory of
hydrophobic hydration" [J. Chem. Phys. 116, 2907 (2002)]
Giuseppe Graziano
pp. 10448-10449
Response to "Comment on `A simple molecular thermodynamic
theory of hydrophobic hydration' " [J. Chem. Phys. 119, 10448 (2003)]
Henry S. Ashbaugh, Thomas M. Truskett, and Pablo G. Debenedetti
pp. 10450-10451
Erratum: "Semiclassical calculation of collisional dissociation
cross sections for N + N2" [J. Chem. Phys. 117, 6556 (2002)]
Catherine Tully and Robert E. Johnson
pp. 10452-10453
Erratum: "Electrostatic interactions in dissipative particle dynamics—
simulation of polyelectrolytes and anionic surfactants"
[J. Chem. Phys. 118, 11265 (2003)]
R. D. Groot
p. 10454