The Journal of Chemical Physics, 2001, V 115, N 2, 8 July.
TE Stepwise addition reactions in ammonia synthesis: A first principles study
AU Changjun Zhang, Zhi-Pan Liu, and P.Hu
PP 609-611
TE Femtochemistry of mass-selected negative-ion clusters of
dioxygen: Charge-transfer and solvation dynamics
AU D.Hern Paik, Thorsten M.Bernhardt, Nam Joon Kim, and Ahmed H.Zewail
PP 612-616
TE Solute-solute potential of mean force in supercritical solvents:
A nonlocal integral equation study
AU S.A.Egorov and Eran Rabani
PP 617-620
ARTICLES
TE Multireference Moller-Plesset method with a complete active
space configuration interaction reference function
AU Yoong-Kee Choe, Yoshihide Nakao, and Kimihiko Hirao
PP 621-629
TE Enhanced sampling in simulations of dense systems: The phase
behavior of collapsed polymer globules
AU W.Paul and M.Mueller
PP 630-635
TE A novel implicit Newton-Raphson geometry optimization method for
density functional theory calculations
AU Francesco Filippone, Simone Meloni, and Michele Parrinello
PP 636-642
TE The active-space equation-of-motion coupled-cluster methods for
excited electronic states: Full EOMCCSDt
AU Karol Kowalski and Piotr Piecuch
PP 643-651
TE Displaced-points path integral method for including quantum
effects in the Monte Carlo evaluation of free energies
AU Steven L.Mielke and Donald G.Truhlar
PP 652-662
TE Encounter-controlled reactions between interacting walkers in
finite lattices: Complex kinetics and many-body effects
AU C.Nicolis, John J.Kozak, and G.Nicolis
PP 663-670
TE An analysis and implementation of a general coupled cluster
approach to excitation energies with application to the B_{2} molecule
AU Kasper Hald, Poul Jorgensen, Jeppe Olsen, and Michal Jaszunski
PP 671-679
TE Variational nonequilibrium thermodynamics of reaction-diffusion
systems. III. Progress variables and dissipation of energy and information
AU Bernard Gaveau, Michel Moreau, and Janos Toth
PP 680-690
TE Normal mode analysis of large systems with icosahedral symmetry:
Application to (Dialanine)_{60} in full and reduced basis set implementations
AU Herman W.T.van Vlijmen and Martin Karplus
PP 691-698
TE Collective electronic oscillator/semiempirical calculations of
static nonlinear polarizabilities in conjugated molecules
AU S.Tretiak, A.Saxena, R.L.Martin, and A.R.Bishop
PP 699-707
TE Preparation of bulk melt chain configurations of polycyclic polymers
AU Sylvie Neyertz and David Brown
PP 708-717
TE Scalar relativistic effects on energies of molecules containing
atoms from hydrogen through argon
AU Gary S.Kedziora, John A.Pople, Mark A.Ratner, Paul C.Redfern,
and Larry A.Curtiss
PP 718-725
TE Calculated paramagnetic resonance parameters of the luminescent
Re_{6}S_{8}Cl_{6}^{3-} cluster ion
AU Luis Alvarez-Thon, Lucia Hernandez-Acevedo, and Ramiro Arratia-Perez
PP 726-730
TE Time-dependent quantum wave packet study of the C+CH reaction
AU Bi-Yu Tang, Mao-Du Chen, Ke-Li Han, and John Z.H.Zhang
PP 731-738
TE Anisotropy quantum beat in two-photon ionization of coherently
excited hyperfine states of Na
AU Young Jong Lee, Sung Haeng Cho, Nam Joon Kim, and Seong Keun Kim
PP 739-742
TE Mass analyzed threshold ionization of deuterium substituted
isotopomers of aniline and p-fluoroaniline: Isotope effect and
site-specific electronic transition
AU Jung Lee Lin and Wen Bih Tzeng
PP 743-751
TE The triplet He_{2}^{*} Rydberg states and their interaction
potentials with ground state He atoms
AU J.Eloranta and V.A.Apkarian
PP 752-760
TE A critical note on extrapolated helium pair potentials
AU Wim Klopper
PP 761-765
TE Laser excitation and dispersed fluorescence spectra of the HCBr
A~-X~ vibronic transition
AU Tsung-Chuan Tsai, Chun-Wei Chen, and Bor-Chen Chang
PP 766-770
TE The molecular structures and nature of interactions in
CH_{3}^{+}Ar_{n}(n=1-8) complexes
AU Robert W.Gora, Szczepan Roszak, and Jerzy Leszczynski
PP 771-777
TE Energetics and electronic structure of carbon doped aluminum clusters
AU B.K.Rao and P.Jena
PP 778-783
TE Spectroscopy and dynamics of I_{2}(B)-Ne
AU Amy Burroughs, Galina Kerenskaya, and Michael C.Heaven
PP 784-791
TE The electronic structure and properties of group 8 oxides
MO_{4}, where M=Ru, Os, and Element 108, Hs
AU V.Pershina, T.Bastug, B.Fricke, and S.Varga
PP 792-799
TE Experimental and theoretical study of Lambda-doublet resolved
rotationally inelastic collisions of highly rotationally excited
CH(A ^{2}Delta,v=0) with Ar
AU Boris Nizamov, Paul J.Dagdigian, Yi-Ren Tzeng, and Millard H.Alexander
PP 800-809
TE Binary N-octanol-sulfur hexafluoride nucleation
AU Michael P.Anisimov, Philip K.Hopke, Ildar N.Shaimordanov,
Sergey D.Shandakov, and Lars-Erik Magnusson
PP 810-816
TE Hyperfine structure and the Stark effect in the electronic
spectrum of the SiCH radical with implications for microwave
spectroscopy and radioastronomy
AU Tony C.Smith, Dennis J.Clouthier, and Timothy C.Steimle
PP 817-823
TE The ^{35}Cl^{-}-H_{2} and ^{35}Cl^{-}-D_{2} anion complexes:
Infrared spectra and radial intermolecular potentials
AU D.A.Wild, P.S.Weiser, E.J.Bieske, and A.Zehnacker
PP 824-832
TE Hydrogen bonding in benzonitrile-water complexes
AU Eugene S.Kryachko and Minh Tho Nguyen
PP 833-841
TE Crossed molecular beam studies of the O(^{1}D)+NH_{3} reaction
AU Jinian Shu, Jim J.Lin, Chia C.Wang, Yuan T.Lee, and Xueming Yang
PP 842-848
TE Multiple pathway dynamics of the O(^{1}D)+C_{2}H_{6} reaction: A
crossed beam study
AU Jinian Shu, Jim J.Lin, Yuan T.Lee, and Xueming Yang
PP 849-857
TE Abnormal behavior in the three-photon resonance enhanced multiphoton
ionization spectroscopy of CO E ^{1}Pi <- X ^{1}Sigma^{+}(0,0)
AU Xiangling Chen, Guohe Sha, Bo Jiang, Jinchun Xie, and Cunhao Zhang
PP 858-863
TE Nuclear motion driven by the Renner-Teller effect as observed in
the resonant Auger decay to the X~^{2}Pi electronic ground state of N_{2}O^{+}
AU C.Miron, M.Simon, P.Morin, S.Nanbu, N.Kosugi, S.L.Sorensen,
A.Naves de Brito, M.N.Piancastelli, O.Bjoerneholm, R.Feifel, M.Baessler,
and S.Svensson
PP 864-869
TE Rotational spectra of SiCN, SiNC, and the SiC_{n}H (n=2, 4-6) radicals
AU M.C.McCarthy, A.J.Apponi, C.A.Gottlieb, and P.Thaddeus
PP 870-877
TE An experimental measure of anharmonicity in the bending of DCO^{+}
AU Robert J.Foltynowicz, Jason D.Robinson, and Edward R.Grant
PP 878-884
TE Theoretical study of the electronic states of small cationic
niobium clusters, Nb_{n}^{+} (n=3-5)
AU D.Majumdar and K.Balasubramanian
PP 885-898
TE Differentiation of the ground vibrational and global minimum
structures in the Ar:HBr intermolecular complex
AU Jairo Castillo-Chara, Robert R.Lucchese, and John W.Bevan
PP 899-911
TE Solvent effects on ground and excited electronic state
structures of p-nitroaniline
AU Andrew M.Moran and Anne Myers Kelley
PP 912-924
TE Ornstein-Zernike equation for convex molecule fluids
AU Tomas Boublik
PP 925-929
TE Measurement of the energy decay rate for the first
vibrational-excited-state in solid parahydrogen
AU J.Z.Li, M.Suzuki, M.Katsuragawa, and K.Hakuta
PP 930-932
TE Isothermal binodal curves near a critical endpoint
AU Young C.Kim, Michael E.Fisher, and Marcia C.Barbosa
PP 933-950
TE Direct observation of power-law behavior in the asymptotic
relaxation to equilibrium of a reversible bimolecular reaction
AU Dina Pines and Ehud Pines
PP 951-953
TE Analysis of radiation-induced small Cu particle cluster
formation in aqueous CuCl_{2}
AU Sumedha Jayanetti, Robert A.Mayanovic, Alan J.Anderson,
William A.Bassett, and I.-Ming Chou
PP 954-962
TE Continuous phase transition in polydisperse hard-sphere mixture
AU Ronald Blaak and Jose A.Cuesta
PP 963-969
TE Fluids of hard-spheres with two sticky thin layers,
liquid-liquid transition for pure substances
AU Shihong Meng, Jun Cai, Honglai Liu, and Ying Hu
PP 970-976
TE Temperature dependence of hydrophobic hydration and entropy
convergence in an isotropic model of water
AU Shekhar Garde and Henry S.Ashbaugh
PP 977-982
TE On the ground state structure of monolayers on the (100) face of
fcc crystals
AU A.Patrykiejew, S.Sokolowski, and K.Binder
PP 983-993
TE The translational and rotational drag on Langmuir monolayer domains
AU P.Steffen, P.Heinig, S.Wurlitzer, Z.Khattari, and Th.M.Fischer
PP 994-997
TE Optical properties of gold and silver nanoclusters investigated
by liquid chromatography
AU J.P.Wilcoxon, J.E.Martin, and P.Provencio
PP 998-1008
TE Scattering of hyperthermal molecular ions from Pt(111)
AU Gero Herrmann, Michio Okada, and Yoshitada Murata
PP 1009-1014
TE Electrical conductivities of methane, benzene, and polybutene
shock compressed to 60 GPa (600 kbar)
AU W.J.Nellis, D.C.Hamilton, and A.C.Mitchell
PP 1015-1019
TE Orientation of chiral heptahelicene C_{30}H_{18} on copper
surfaces: An x-ray photoelectron diffraction study
AU R.Fasel, A.Cossy, K.-H.Ernst, F.Baumberger, T.Greber, and J.Osterwalder
PP 1020-1027
TE "On"/"off" fluorescence intermittency of single semiconductor
quantum dots
AU M.Kuno, D.P.Fromm, H.F.Hamann, A.Gallagher, and D.J.Nesbitt
PP 1028-1040
TE Near-critical two-dimensional smectic-C to solid-like phase
transition in azobenzene-derivative Langmuir monolayers
AU Yuka Tabe and Hiroshi Yokoyama
PP 1041-1051
TE Size-dependency of polarizabilities of fractal- and nonfractal-structured
oligomers modeled after dendron parts in Cayley-tree-type dendrimers
AU Masayoshi Nakano, Harunori Fujita, Masahiro Takahata, and Kizashi Yamaguchi
PP 1052-1059
TE Rotation of chromophores in amorphous polymer hosts of arbitrary disorder
AU D.J.Binks and D.P.West
PP 1060-1065
TE Counterion and polyion dynamics in highly asymmetrical electrolyte solutions
AU M.Jardat, T.Cartailler, and P.Turq
PP 1066-1072
TE Sphere to cylinder transition in a single phase microemulsion
system: A theoretical investigation
AU Edgar M.Blokhuis and Wiebke F.C.Sager
PP 1073-1085
TE Determination of structural parameters characterizing thin films
by optical methods: A comparison between scanning angle
reflectometry and optical waveguide lightmode spectroscopy
AU C.Picart, G.Ladam, B.Senger, J.-C.Voegel, P.Schaaf,
F.J.G.Cuisinier, and C.Gergely
PP 1086-1094
TE Scattering patterns of self-assembled gyroid cubic phases in
amphiphilic systems
AU Piotr Garstecki and Robert Holyst
PP 1095-1099
TE Monte Carlo simulations of free chains in end-linked polymer networks
AU Nisha Gilra, Athanassios Z.Panagiotopoulos, and Claude Cohen
PP 1100-1104
TE Effective-medium Gaussian-chain theory for semidilute polymer
solutions confined to a slit
AU Iwao Teraoka and Yongmei Wang
PP 1105-1114
LETTERS TO THE EDITOR
TE A mixed order density functional theory for adhesive hard sphere
fluid confined between two hard walls
AU Shiqi Zhou, Xingming Sun, Hong Chen, and Haoran Li
PP 1115-1117