The Journal of Chemical Physics, 2002, V 116, N 5, February 1.
TE Atomic force microscopy observation of insulated molecular
wireformed by conducting polymer and molecular nanotube
AU Takeshi Shimomura, Tomonori Akai, Takumi Abe, and Kohzo Ito
PP 1753-1756
TE Fluid solid equilibrium for two dimensional tangent hard
Disk chains from Wertheim's perturbation theory
AU Carl McBride and Carlos Vega
PP 1757-1759
ARTICLES
TE Interpretation of the Kohn-Sham orbital energies as
Approximate vertical ionization potentials
AU D.P.Chong, O.V.Gritsenko, and E.J.Baerends
PP 1760-1772
TE Analytic gradients for the coupled-cluster singles,
doubles, and triples (CCSDT) model
AU Juergen Gauss and John F.Stanton
PP 1773-1782
TE The wormhole move: A new algorithm for polymer simulations
AU J.Houdayer
PP 1783-1787
TE Density and binding forces in diatomics
AU J.Fernandez Rico, R.Lopez, I.Ema, and G.Ramirez
PP 1788-1799
TE Polarized atomic orbitals for linear scaling methods
AU Gerd Berghold, Michele Parrinello, and Juerg Hutter
PP 1800-1810
TE Structure of the exact wave function. IV. Excited states from
exponential ansatz and comparative calculations by the iterative
configuration interaction and extended coupled cluster theories
AU Hiroshi Nakatsuji
PP 1811-1824
TE Volume-elements of integration: A geometric algebra approach
AU Janne Pesonen and Lauri Halonen
PP 1825-1833
TE An efficient algorithm for metric correction forces in
simulations of linear polymers with constrained bond lengths
AU Matteo Pasquali and David C.Morse
PP 1834-1838
TE One-electron pseudopotential calculations of excited states of
LiAr, NaAr, and KAr
AU M.B.El Hadj Rhouma, H.Berriche, Z.B.Lakhdar, and F.Spiegelman
PP 1839-1849
TE Accurate dissociation energies of O-H...O hydrogen-bonded
1-naphthol-solvent complexes
AU Claudia Wickleder, Debora Henseler, and Samuel Leutwyler
PP 1850-1857
TE Chemical reaction of sympathetically laser-cooled molecular ions
AU Takashi Baba and Izumi Waki
PP 1858-1861
TE Ionization potentials and radii of neutral and ionized species
of elements 107 (bohrium) and 108 (hassium) from extended
multiconfiguration Dirac-Fock calculations
AU E.Johnson, B.Fricke, T.Jacob, C.Z.Dong, S.Fritzsche, and V.Pershina
PP 1862-1868
TE Photodissociation and intramolecular dynamics of vibrationally
excited CHF_{2}Cl
AU Lianbin Li, Gabriela Dorfman, Aviva Melchior, Salman Rosenwaks, and Ilana Bar
PP 1869-1876
TE X-ray four-wave mixing in molecules
AU Satoshi Tanaka and Shaul Mukamel
PP 1877-1891
TE Theoretical mechanistic study on the ion-molecule reactions of
CCN^{+}/CNC^{+} with H_{2}O and HCO^{+}/HOC^{+} with HCN/HNC
AU Yu-guo Tao, Yi-hong Ding, Jian-jun Liu, Ze-sheng Li,
Xu-ri Huang, and Chia-Chung Sun
PP 1892-1910
TE Sensitivity of Pt x-ray absorption near edge structure to the
morphology of small Pt clusters
AU A.L.Ankudinov, J.J.Rehr, John J.Low, and Simon R.Bare
PP 1911-1919
TE Nonexistent electron affinity of OCS and the stabilization of
carbonyl sulfide anions by gas phase hydration
AU Eric Surber, S.P.Ananthavel, and Andrei Sanov
PP 1920-1929
TE Can optical spectroscopy directly elucidate the ground state of C_{20}?
AU Alberto Castro, Miguel A.L.Marques, Julio A.Alonso,
George F.Bertsch, K.Yabana, and Angel Rubio
PP 1930-1933
TE Outer- and inner-valence ionization spectra of NH_{3}, PH_{3},
and AsH_{3}: symmetry-adapted cluster configuration interaction general-R study
AU Mayumi Ishida, Masahiro Ehara, and Hiroshi Nakatsuji
PP 1934-1943
TE Molecular dynamics simulation of the I_{2}(X)...Ar isomers
population in a free-jet expansion: Thermodynamics versus kinetic control
AU Adolfo Bastida, Jose Zun~iga, Alberto Requena, Beatriz Miguel,
J.Alberto Beswick, Jacques Vigue, and Nadine Halberstadt
PP 1944-1953
TE Photodissociation of O_{2} in the Herzberg continuum. I. Ab
initio calculation of potential energy curves and properties
AU Mirjam C.G.N.van Vroonhoven and Gerrit C.Groenenboom
PP 1954-1964
TE Photodissociation of O_{2} in the Herzberg continuum. II.
Calculation of fragment polarization and angular distribution
AU Mirjam C.G.N.van Vroonhoven and Gerrit C.Groenenboom
PP 1965-1975
TE Homogeneous nucleation of n-pentanol measured in an expansion
cloud chamber
AU John L.Schmitt and G.Jay Doster
PP 1976-1978
TE Molecular hydrodynamic theory of nonresonant Raman spectra in
liquids: Third-order spectra
AU R.Aldrin Denny and David R.Reichman
PP 1979-1986
TE Molecular hydrodynamic theory of nonresonant Raman spectra in
liquids: Fifth-order spectra
AU R.Aldrin Denny and David R.Reichman
PP 1987-1994
TE Hydrogen bonding in supercritical methanol studied by infrared
spectroscopy
AU Dmitry S.Bulgarevich, Katsuto Otake, Takeshi Sako,
Tsutomu Sugeta, Yoshihiro Takebayashi, Chiyoshi Kamizawa,
Daisuke Shintani, Akira Negishi, and Chikao Tsurumi
PP 1995-2003
TE Local density augmentation in attractive supercritical
solutions. III. How important is the solute-solvent interaction range?
AU S.A.Egorov
PP 2004-2010
TE Anisotropic valence-->core x-ray fluorescence from a
[Rh(en)_{3}][Mn(N)(CN)_{5}]-H_{2}O single crystal: Experimental
results and density functional calculations
AU U.Bergmann, J.Bendix, P.Glatzel, H.B.Gray, and S.P.Cramer
PP 2011-2015
TE Diffractive optics-based six-wave mixing: Heterodyne detection
of the full chi^{(5)} tensor of liquid CS_{2}
AU K.J.Kubarych, C.J.Milne, S.Lin, V.Astinov, and R.J.D.Miller
PP 2016-2042
TE The entropy loss on supercooling a liquid and anharmonic
contributions
AU G.P.Johari
PP 2043-2046
TE Chemical reactivity and phase behavior of NH_{4}Cl by molecular
dynamics simulations. I. Solid-solid and solid-fluid equilibria
AU Bertrand Guillot and Yves Guissani
PP 2047-2057
TE Chemical reactivity and phase behavior of NH_{4}Cl by molecular
dynamics simulations. II. The liquid-vapor coexistence curve
AU Yves Guissani and Bertrand Guillot
PP 2058-2066
TE Algebraic perturbation theory for dipolar fluid mixtures in a
weak external field: Application for isomerization equilibria
AU Gergely Kronome, Istvan Szalai, and Janos Liszi
PP 2067-2074
TE Understanding third-order dipolar effects in solution nuclear
magnetic resonance: Hahn echo decays and intermolecular
triple-quantum coherences
AU W.S.Warren, S.Y.Huang, S.Ahn, and Y.Y.Lin
PP 2075-2084
TE Transport equations for concentrated electrolyte solutions:
Reference frame, mutual diffusion
AU J.-F.Dufreche, O.Bernard, and P.Turq
PP 2085-2097
TE Stochastic model of reaction rate oscillations in the CO
oxidation on nm-sized palladium particles
AU N.V.Peskov, M.M.Slinko, and N.I.Jaeger
PP 2098-2106
TE High-resolution ellipsometric study of an n-alkane film,
dotriacontane, adsorbed on a SiO_{2} surface
AU U.G.Volkmann, M.Pino, L.A.Altamirano, H.Taub, and F.Y.Hansen
PP 2107-2115
TE Nucleated deliquescence of salt
AU Will Cantrell, Charles McCrory, and George E.Ewing
PP 2116-2120
TE Ab initio study of pressure effect on elastic properties of
crystalline Au
AU Taku Tsuchiya and Katsuyuki Kawamura
PP 2121-2124
TE Monte Carlo study of the nucleation process during zeolite
synthesis
AU Minghong G.Wu and Michael W.Deem
PP 2125-2137
TE Effect of confinement by porous materials on chemical reaction
kinetics
AU C.Heath Turner, John K.Brennan, J.Karl Johnson, and Keith E.Gubbins
PP 2138-2148
TE Mechanisms of molecular electronic rectification through
electronic levels with strong vibrational coupling
AU Alexander M.Kuznetsov and Jens Ulstrup
PP 2149-2165
TE In situ Raman study of C_{60} polymerization at high pressure
high temperature conditions
AU A.V.Talyzin, L.S.Dubrovinsky, T.Le Bihan, and U.Jansson
PP 2166-2174
TE Orientational preference and influence of rotation on methane
mobility in one-dimensional channels
AU Shreyas Y.Bhide and S.Yashonath
PP 2175-2183
TE Reorientational and translational dynamics of benzene in zeolite
NaY as studied by one- and two-dimensional exchange spectroscopy
and static-field-gradient nuclear magnetic resonance
AU B.Geil, O.Isfort, B.Boddenberg, D.E.Favre, B.F.Chmelka, and F.Fujara
PP 2184-2193
TE Electro-osmosis in a nanometer-scale channel studied by
atomistic simulation
AU Jonathan B.Freund
PP 2194-2200
TE Entropy driven phase transitions in colloid-polymer suspensions:
Tests of depletion theories
AU S.Ramakrishnan, M.Fuchs, K.S.Schweizer, and C.F.Zukoski
PP 2201-2212
TE Phase transitions in a nematic binary mixture
AU A.Christine Rauch, Shila Garg, and D.T.Jacobs
PP 2213-2218
TE Investigating a link between all-atom model simulation and the
Ising-based theory on the helix-coil transition: Equilibrium
statistical mechanics
AU Mitsunori Takano, Kuniaki Nagayama, and Akira Suyama
PP 2219-2228
TE Small angle neutron scattering studies of a
polybutadiene/polystyrene blend with small additions of
ortho-dichloro-benzene for varying temperatures and pressures.
I. Mean field to 3D-Ising crossover behavior
AU Dietmar Schwahn, Henrich Frielinghaus, and Lutz Willner
PP 2229-2240
TE Small angle neutron scattering studies of a
polybutadiene/polystyrene blend with small additions of
ortho-dichloro-benzene for varying temperatures and pressures.
II. Phase boundaries and Flory-Huggins parameter
AU Henrich Frielinghaus, Dietmar Schwahn, Lutz Willner, and Karl F.Freed
PP 2241-2250
TE Monte Carlo simulations of charged platelet systems
AU Daniel Leger and Dominique Levesque
PP 2251-2260
TE Lattice models of protein folding permitting disordered native
states
AU Gordon M.Crippen and Mukesh Chhajer
PP 2261-2268
TE Residue packing in proteins: Uniform distribution on a
coarse-grained scale
AU Zerrin Bagci, Robert L.Jernigan, and Ivet Bahar
PP 2269-2276
TE Monte Carlo simulation of the crystallization and annealing of a
freestanding thin film of n-tetracontane
AU Guoqiang Xu and Wayne L.Mattice
PP 2277-2283
TE Qualitative and quantitative descriptions on the localized
electronic structure in single-walled carbon nanotubes
AU Gang Zhou, Wenhui Duan, Binglin Gu, and Yoshiyuki Kawazoe
PP 2284-2288
TE Nucleation in binary polymer blends: A self-consistent field
study
AU Stephen M.Wood and Zhen-Gang Wang
PP 2289-2300
TE Molecular simulation of crystal growth in n-eicosane
AU N.Waheed, M.S.Lavine, and G.C.Rutledge
PP 2301-2309
TE Chain statistics and the changes in the entropy and heat
capacity during melt polymerization
AU J.Wang and G.P.Johari
PP 2310-2322
TE The distance fluctuation criterion for melting: Comparison of
square-well and Morse potential models for clusters and homopolymers
AU Yaoqi Zhou, Martin Karplus, Keith D.Ball, and R.Stephen Berry
PP 2323-2329
LETTERS TO THE EDITOR
TE Erratum: "A theorem for inhomogeneous systems: The
generalization of the nucleation theorem" [J. Chem. Phys.,
v.115, 1853 (2001)]
AU R.K.Bowles, D.Reguera, Y.Djikaev, and H.Reiss
PP 2330