The Journal of Chemical Physics, , 2001, V 114, N 16, April 22.
TE The equilibrium theory for Lennard-Jones dimer fluids
AU C.-T.Lin and G.Stell
PP 6969-6972
ARTICLES
TE An ab initio direct-trajectory study of the kinetic
Isotope effect on the bifurcating reaction
AU Tetsuya Taketsugu and Yuko Kumeda
PP 6973-6982
TE Gauge invariant coupled cluster response theory using
Optimized nonorthogonal orbitals
AU Thomas Bondo Pedersen, Berta Fernandez, and Henrik Koch
PP 6983-6993
TE Smart Darting Monte Carlo
AU Ioan Andricioaei, John E.Straub, and Arthur F.Voter
PP 6994-7000
TE Intermolecular bending levels in an open-shell diatom-diatom
complex: Infrared spectroscopy and model calculations of the
OH-N_{2} complex
AU Mark D.Marshall, Bethany V.Pond, Shawn M.Hopman,
and Marsha I.Lester
PP 7001-7012
TE Semirigid vibrating rotor target calculation for reaction
H+HOD-->H_{2}+OD, HD+OH
AU Yi-Min Li, Ming-Liang Wang, John Z.H.Zhang, and Dong H.Zhang
PP 7013-7017
TE The stretching vibrational overtone spectra of PH_{3}: Local
mode vibrational analysis, dipole moment surfaces from density
functional theory and band intensities
AU Sheng-Gui He, Jing-Jing Zheng, Shui-Ming Hu, Hai Lin, Yun Ding,
Xiang-Huai Wang, and Qing-Shi Zhu
PP 7018-7026
TE Dissociation dynamics of I_{2}(B)-Ar: Rotational population
distributions of I_{2}(B,v) fragments from the T-shaped and
linear complexes
AU Amy Burroughs and Michael C.Heaven
PP 7027-7035
TE Surface solvation of halogen anions in water clusters: An ab
initio molecular dynamics study of the Cl^{-}(H_{2}O)_{6} complex
AU Douglas J.Tobias, Pavel Jungwirth, and Michele Parrinello
PP 7036-7044
TE Alkali metal cation-ligand affinities: Basis set superposition
correction for the Gaussian protocols
AU F.M.Siu, N.L.Ma, and C.W.Tsang
PP 7045-7051
TE Far-wing scattering studies on the reaction
Li^{*}(2p,3p)+H_{2}-->LiH(v"=1,2,J")+H
AU Solomon Bililign, Brian C.Hattaway, Tito L.Robinson,
and Gwang-Hi Jeung
PP 7052-7058
TE Photodissociation spectroscopy of benzene cluster ions in
ultraviolet and infrared regions: Static and dynamic behavior of
positive charge in cluster ions
AU Yoshiya Inokuchi and Nobuyuki Nishi
PP 7059-7065
TE The structure and the thermochemical properties of the
H_{3}^{+}(H_{2})_{n} clusters (n=8-12)
AU M.Barbatti, Ginette Jalbert, and M.A.C.Nascimento
PP 7066-7072
TE Quantum state distributions of HCl from the ultraviolet
photodissociation of HCl dimer
AU Carl A.Picconatto, Hong Ni, Abneesh Srivastava, and James J.Valentini
PP 7073-7080
TE Microsolvation of the water cation in neon: Infrared spectra and
potential energy surface of the H_{2}O^{+}-Ne open-shell ionic complex
AU Otto Dopfer, Doris Roth, and John P.Maier
PP 7081-7093
TE Application of artificial neural networks and genetic algorithms
to modeling molecular electronic spectra in solution
AU Mark Lilichenko and Anne Myers Kelley
PP 7094-7102
TE Dispersion of the first hyperpolarizability of a strongly
charge-transfer chromophore investigated by tunable wavelength
hyper-Rayleigh scattering
AU Chia-Chen Hsu, Sean Liu, Chen Chi Wang, and C.H.Wang
PP 7103-7108
TE Structures and properties of hard sphere mixtures based on a
self-consistent integral equation
AU Lloyd L.Lee and Anatol Malijevsky
PP 7109-7117
TE The alpha-relaxation process in simple glass forming liquid
m-toluidine. I. The temperature dependence of the dielectric response
AU Maria Cutroni, Andrea Mandanici, Anna Spanoudaki, and Rolf Pelster
PP 7118-7123
TE The alpha-relaxation process in simple glass forming liquid
m-toluidine. II. The temperature dependence of the mechanical response
AU Maria Cutroni and Andrea Mandanici
PP 7124-7129
TE Semiclassical molecular dynamics computation of spontaneous
light emission in the condensed phase: Resonance Raman spectra
AU M.Ovchinnikov, V.A.Apkarian, and Gregory A.Voth
PP 7130-7143
TE Magnetic properties of atomic boron in rare gas matrices: An
electron paramagnetic resonance study with ab initio and
diatomics-in-molecules molecular dynamics analysis
AU Toni Kiljunen, Jussi Eloranta, Jussi Ahokas, and Henrik Kunttu
PP 7144-7156
TE Optical properties of atomic boron in rare gas matrices: An
ultraviolet-absorption/laser induced fluorescence study with ab
initio and diatomics-in-molecules molecular dynamics analysis
AU Toni Kiljunen, Jussi Eloranta, Jussi Ahokas, and Henrik Kunttu
PP 7157-7165
TE Liquid-solid and solid-solid phase transitions of oxygen in a
single cylindrical pore
AU Kunimitsu Morishige and Yutaka Ogisu
PP 7166-7173
TE Effect of pressure, membrane thickness, and placement of control
volumes on the flux of methane through thin silicalite
membranes: A dual control volume grand canonical molecular dynamics study
AU Marcus G.Martin, Aidan P.Thompson, and Tina M.Nenoff
PP 7174-7181
TE Demixing and the force between parallel plates immersed in
binary liquid mixtures
AU H.Greberg and G.N.Patey
PP 7182-7188
TE Molecular simulation of the transition from liquidlike to
solidlike behavior in complex fluids confined to nanoscale gaps
AU S.T.Cui, P.T.Cummings, and H.D.Cochran
PP 7189-7195
TE Statistical mechanics and molecular simulation of adsorption of
ternary gas mixtures in nanoporous materials
AU Lifang Xu, Theodore T.Tsotsis, and Muhammad Sahimi
PP 7196-7210
TE Self-organized structures in thin liquid films on chemically
heterogeneous substrates: Effect of antagonistic short and long
range interactions
AU Manoj Zope, Kajari Kargupta, and Ashutosh Sharma
PP 7211-7221
TE Helical polyacetylene heavily doped with iodine: Magnetotransport
AU D.-S.Suh, T.J.Kim, A.N.Aleshin, Y.W.Park, G.Piao, K.Akagi,
H.Shirakawa, J.S.Qualls, S.Y.Han, and J.S.Brooks
PP 7222-7227
TE Photodesorption of disilane physisorbed on hydrogen terminated
Si(100) and the dramatic consequences of weak molecular chemisorption
AU Steven Wright and Eckart Hasselbrink
PP 7228-7238
TE Ferroelectric properties of (C_{5}H_{5}NH)_{5}Bi_{2}Br_{11}
AU J.Jozkow, R.Jakubas, G.Bator, and A.Pietraszko
PP 7239-7246
TE Static and dynamic scattering from ternary polymer blends:
Bicontinuous microemulsions, Lifshitz lines, and amphiphilicity
AU Terry L.Morkved, Petr Stepanek, Kasiraman Krishnan,
Frank S.Bates, and Timothy P.Lodge
PP 7247-7259
TE Dynamics of DNA in entangled polymer solutions: An anisotropic
friction model
AU Hiroshi Noguchi and Masako Takasu
PP 7260-7266
TE Hierarchy of events in the folding of model proteins
AU R.A Broglia and G.Tiana
PP 7267-7273
TE Computer simulation of a Langmuir trough experiment carried out
on a nanoparticulate array
AU N.I.D.Fenwick, F.Bresme, and N.Quirke
PP 7274-7282
TE Phase envelopes for variable width square well chain fluids
AU Jingyu Cui and J.Richard Elliott, Jr.
PP 7283-7290