The Journal of Chemical Physics, 2001, V 114, N 13, April 1.
TE Flattening of organic molecules under pressure
AU K.K.Zhuravlev and M.D.McCluskey
PP 5465-5467
TE The heat capacity of the restricted primitive model
electrolyte
AU Erik Luijten, Michael E.Fisher, and Athanassios
Z.Panagiotopoulos
PP 5468-5471
ARTICLES
TE Calculation of heat capacities and entropies of metal
halides with quantum chemical methods
AU Karl Jug, Florian Janetzko, and Andreas M.Koester
PP 5472-5481
TE Effect of correlating core orbitals in calculations of nuclear
spin-spin couplings
AU Perttu Lantto and Juha Vaara
PP 5482-5490
TE Scaled higher-order correlation energies: In pursuit of the
complete basis set full configuration interaction limit
AU Attila G.Csaszar and Matthew L.Leininger
PP 5491-5496
TE A new parametrization of exchange-correlation generalized
gradient approximation functionals
AU A.Daniel Boese and Nicholas C.Handy
PP 5497-5503
TE New theoretical insight into the thermal cis-trans isomerization
of azo compounds: Protonation lowers the activation barrier
AU W.A.Sokalski, R.W.Gora, W.Bartkowiak, P.Kobylinski,
J.Sworakowski, A.Chyla, and J.Leszczynski
PP 5504-5508
TE Excess energies of n- and i-octane molecular clusters
AU Hanna Vehkamaeki and Ian J.Ford
PP 5509-5513
TE Magic numbers in copper-doped aluminum cluster anions
AU Owen C.Thomas, Weijun Zheng, and Kit H.Bowen, Jr.
PP 5514-5519
TE The structure of a weakly bound ionic trimer: Calculations for
the ^{4}He_{2}H^{-} complex
AU F.A.Gianturco, F.Paesani, I.Baccarelli, G.Delgado-Barrio,
T.Gonzalez-Lezana, S.Miret-Artes, P.Villarreal, G.B.Bendazzoli,
and S.Evangelisti
PP 5520-5530
TE Computation of large systems with an economic basis set: Ab
initio calculations of silicon oxide clusters
AU R.Q.Zhang, T.S.Chu, and S.T.Lee
PP 5531-5536
TE Quantum interference and asymptotic interactions in the
photodissociation of SH: Total cross section and branching ratios
AU Sungyul Lee, Hosung Sun, Bongsoo Kim, and Karl F.Freed
PP 5537-5544
TE An interatomic potential for mercury dimer
AU Lindsey J.Munro, J.Karl Johnson, and Kenneth D.Jordan
PP 5545-5551
TE Hydrogen bond cooperativity and electron delocalization in
hydrogen fluoride clusters
AU Luis Rincon, Rafael Almeida, David Garcia-Aldea,
and Helena Diez y Riega
PP 5552-5561
TE Unexpected stability of [Cu-Ar]^{2+}, [Ag-Ar]^{2+},
[Au-Ar]^{2+}, and their larger clusters
AU N.R.Walker, R.R.Wright, P.E.Barran, H.Cox, and A.J.Stace
PP 5562-5567
TE One-photon mass-analyzed threshold ionization spectroscopy of 1-
and 2-iodopropanes in vacuum ultraviolet
AU Sang Tae Park, Sang Kyu Kim, and Myung Soo Kim
PP 5568-5576
TE The NO(X^{2}Pi)-Ne complex. I. IR-REMPI double resonance
spectroscopy
AU Y.Kim, J.Fleniken, and H.Meyer
PP 5577-5587
TE The NO(X^{2}Pi)-Ne complex. II. Investigation of the lower bound
states based on new potential energy surfaces
AU Millard H.Alexander, Pavel Soldan, Timothy G.Wright,
Yangsoo Kim, Henning Meyer, Paul J.Dagdigian, and Edmond P.F.Lee
PP 5588-5597
TE Ionization and fragmentation dynamics of benzene in intense
laser fields by tandem mass spectroscopy
AU Ryuji Itakura, Jun Watanabe, Akiyoshi Hishikawa,
and Kaoru Yamanouchi
PP 5598-5606
TE Microscopic theory of hyper-Rayleigh scattering for molecular
crystals
AU R.W.Munn
PP 5607-5613
TE Electronic coupling between Watson-Crick pairs for hole transfer
and transport in desoxyribonucleic acid
AU Alexander A.Voityuk, Joshua Jortner, M.Bixon, and Notker Roesch
PP 5614-5620
TE New insights into the fragility dilemma in liquids
AU Dinghai Huang and Gregory B.McKenna
PP 5621-5630
TE Spectral line shapes of single molecules beyond the sudden jump
model
AU Taras Plakhotnik
PP 5631-5636
TE Functional integral formulations for classical fluids
AU Hyung-June Woo and Xueyu Song
PP 5637-5641
TE Unconventional diffusion behaviors of intermolecular
multiple-quantum coherences in nuclear magnetic resonance
AU Zhong Chen and Jianhui Zhong
PP 5642-5653
TE Structure and phase behavior of square-well dimer fluids
AU Mark P.Taylor, Jutta Luettmer-Strathmann, and J.E.G.Lipson
PP 5654-5662
TE A mixed quantum-classical molecular dynamics study of
vibrational relaxation of a molecule in solution
AU Takeshi Terashima, Motoyuki Shiga, and Susumu Okazaki
PP 5663-5673
TE Comparison between integral equation method and molecular
dynamics simulation for three-body forces: Application to
supercritical argon
AU Jean-Marc Bomont, Jean-Louis Bretonnet, and Martin A.van der Hoef
PP 5674-5681
TE Integral encounter theories of the multistage reactions. III.
Reversible intramolecular energy transfer
AU K.L.Ivanov, N.N.Lukzen, A.B.Doktorov, and A.I.Burshtein
PP 5682-5690
TE Polarizable dielectric model of solvation with inclusion of
charge penetration effects
AU Maurizio Cossi, Nadia Rega, Giovanni Scalmani,
and Vincenzo Barone
PP 5691-5701
TE Surface properties of diluted aqueous solutions of solutes
containing isopropyl hydrophobic group
AU Jacek Glinski, Guy Chavepeyer, and Jean-Karl Platten
PP 5702-5706
TE Heteronuclear ^{1}H-^{13}C multiple-spin correlation in
solid-state nuclear magnetic resonance: Combining
rotational-echo double-resonance recoupling and multiple-quantum
spectroscopy
AU Kay Saalwaechter and Hans W.Spiess
PP 5707-5728
TE Manipulation of phase and amplitude modulation of spin
magnetization in magic angle spinning nuclear magnetic resonance
in the presence of molecular diffusion
AU Yun Liu, Gabriela Leu, S.Singer, D.G.Cory, and Pabitra N.Sen
PP 5729-5734
TE Self-consistent corrections to the equation of state and
chemical potentials of hard chain fluid mixtures
AU Igor P.Omelyan and Dor Ben-Amotz
PP 5735-5744
TE Stability of doubly occupied N_{2} clathrate hydrates
investigated by molecular dynamics simulations
AU E.P.van Klaveren, J.P.J.Michels, J.A.Schouten, D.D.Klug,
and J.S.Tse
PP 5745-5754
TE Electron stimulated desorption of H^{-} from thin films of
thymine and uracil
AU Marie-Anne Herve du Penhoat, Michael A.Huels, Pierre Cloutier,
Jean-Paul Jay-Gerin, and Leon Sanche
PP 5755-5764
TE Symmetry and site selectivity in molecular chemisorption:
Benzene on Ni
AU S.Yamagishi, S.J.Jenkins, and D.A.King
PP 5765-5773
TE The surface-ordered phase of n-nonadecane: A molecular dynamics
simulation
AU Hong Zhen Li and Takashi Yamamoto
PP 5774-5780
TE Solvation dynamics of nile blue in ethanol confined in porous
sol-gel glasses
AU R.Baumann, C.Ferrante, F.W.Deeg, and C.Braeuchle
PP 5781-5791
TE A density functional theory study of the reaction of C+O, C+N,
and C+H on close packed metal surfaces
AU A.Michaelides and P.Hu
PP 5792-5795
TE The effect of potential truncation on the gas-liquid surface
tension of planar interfaces and droplets
AU Ismo Napari and Ari Laaksonen
PP 5796-5801
TE Slow beta process in simple organic glass formers studied by
one- and two-dimensional ^{2}H nuclear magnetic resonance. I
AU M.Vogel and E.Roessler
PP 5802-5815
TE Adhesion of ultrathin ZrO_{2}(111) films on Ni(111) from first
principles
AU A.Christensen and Emily A.Carter
PP 5816-5831
TE Optical spectroscopy of CrCl_{6}^{3-} doped Cs_{2}NaScCl_{6}:
Broadband near-infrared luminescence and Jahn-Teller effect
AU Oliver S.Wenger and Hans U.Guedel
PP 5832-5841
TE Molecular dynamics simulation of the liquid-vapor interface of
dipolar fluids under different electrostatic boundary conditions
AU Matthias Mecke, Johann Fischer, and Jochen Winkelmann
PP 5842-5852
TE A Monte Carlo test of the Fisher-Nakanishi-Scaling theory for
the capillary condensation critical point
AU Oliver Dillmann, Wolfhard Janke, Marcus Mueller, and Kurt Binder
PP 5853-5862
TE Franck-Condon spectra and electron-libration coupling in
para-polyphenyls
AU Stoyan Karabunarliev, Eric R.Bittner, and Martin Baumgarten
PP 5863-5870
TE Topologies to geometries in protein folding: Hierarchical and
nonhierarchical scenarios
AU Ariel Fernandez, Andres Colubri, and R.Stephen Berry
PP 5871-5887
TE Writhing geometry at finite temperature: Random walks and
geometric phases for stiff polymers
AU A.C.Maggs
PP 5888-5896
TE An improved decoupled model for spin relaxation in
4-n-alkyloxy-4'-cyanobiphenyls
AU Ronald Y.Dong
PP 5897-5904
TE Complexation of a polyelectrolyte with oppositely charged
spherical macroions: Giant inversion of charge
AU Toan T.Nguyen and Boris I.Shklovskii
PP 5905-5916
TE MP2 correlation effects upon the electronic and vibrational
properties of polyyne
AU Tina D.Poulsen, Kurt V.Mikkelsen, Joseph G.Fripiat,
Denis Jacquemin, and Benoit Champagne
PP 5917-5922
TE Shear-induced diffusion and rheology of noncolloidal
suspensions: Time scales and particle displacements
AU Victor Breedveld, Dirk van den Ende, Robert Jongschaap,
and Jorrit Mellema
PP 5923-5936
TE Monte Carlo simulation for the adsorption of diblock copolymers.
I. In nonselective solvent
AU Ting Chen, Honglai Liu, and Ying Hu
PP 5937-5948
TE Dynamic linear Poisson-Boltzmann theory
AU Victoria S.Campbell and Christopher J.Grayce
PP 5949-5955
LETTERS TO THE EDITOR
TE Mechanism for the high reactivity of CO oxidation on a
ruthenium-oxide
AU Zhi-Pan Liu, P.Hu, and Ali Alavi
PP 5956-5957
TE Erratum: "Comparative dynamics of Cl(^{2}P) and O(^{3}P)
interactions with a hydrocarbon surface" [J. Chem. Phys., v.112,
5975 (2000)]
AU Donna J.Garton, Timothy K.Minton, Michele Alagia,
Nadia Balucani, Piergiorgio Casavecchia, and Gian Gualberto Volpi
PP 5958