The Journal of Chemical Physics, 2002, V 116, N 12, March 22.
TE Direct measurement of the binding energy of the NO dimer
AU Elisabeth A.Wade, Joseph I.Cline, K.Thomas Lorenz, Carl Hayden,
and David W.Chandler
PP 4755-4757
TE Anomalous isotopic effect on vibrational properties of HXeOH
AU Leonid Khriachtchev, Jan Lundell, Mika Pettersson,
Hanna Tanskanen, and Markku Raesaenen
PP 4758-4761
TE Cationic molecular wave packets: "Settin' the pace"
AU S.Graefe, M.Erdmann, and V.Engel
PP 4762-4764
TE A comparison of self-assembly in lattice and off-lattice model
amphiphile solutions
AU Dmitry Bedrov, Grant D.Smith, Karl F.Freed, and Jacek Dudowicz
PP 4765-4768
TE State-to-state dynamics of H+HD-->H_{2}+D at 0.5 eV: A combined
theoretical and experimental study
AU Steven A.Harich, Dongxu Dai, Xueming Yang, Sheng Der Chao,
and Rex T.Skodje
PP 4769-4772
TE Analytic second derivatives for the full coupled-cluster
singles, doubles, and triples model: Nuclear magnetic shielding
constants for BH, HF, CO, N_{2}, N_{2}O, and O_{3}
AU Juergen Gauss
PP 4773-4776
TE Critical length and time scales during the initial stages of
nucleation in polymer blends
AU A.A.Lefebvre, J.H.Lee, N.P.Balsara, and B.Hammouda
PP 4777-4781
ARTICLES
TE Multicanonical ensemble with Nose-Hoover molecular dynamics simulation
AU Soonmin Jang, Youngshang Pak, and Seokmin Shin
PP 4782-4786
TE Irreducible Brillouin conditions and contracted Schroedinger
equations for n-electron systems. II. Spin-free formulation
AU Werner Kutzelnigg and Debashis Mukherjee
PP 4787-4801
TE Density matrix functional theory of weak intermolecular interactions
AU Jerzy Cioslowski and Katarzyna Pernal
PP 4802-4807
TE An effective centroid Hamiltonian and its associated centroid
dynamics for indistinguishable particles in a harmonic trap
AU Nicholas Blinov and Pierre-Nicholas Roy
PP 4808-4818
TE Exploiting past visits or minimum-barrier knowledge to gain
further boost in the temperature-accelerated dynamics method
AU F.Montalenti and A.F.Voter
PP 4819-4828
TE The effective group potential, a new method for the study of
spectrum in large molecules: Tests and perspectives
AU Jean-Louis Heully, Romuald Poteau, Sandra Berasaluce,
and Fabienne Alary
PP 4829-4836
TE Magnetic sublevel specific stimulated Raman pumping of molecular H_{2}
AU Sarah Cureton-Chinn, Peter B.Kelly, and Matthew P.Augustine
PP 4837-4841
TE A quasiclassical trajectory study of O(^{1}D)+HCl reactive
scattering on an improved ab initio surface
AU Kurt M.Christoffel and Joel M.Bowman
PP 4842-4846
TE Photodissociation spectroscopy of Al^{+}-acetaldehyde
AU W.-Y.Lu, M.Acar, and P.D.Kleiber
PP 4847-4852
TE Infrared predissociation spectroscopy of I^{-}-(CH_{3}OH)_{n},
n=1,2: Cooperativity in asymmetric solvation
AU William H.Robertson, Karen Karapetian, Patrick Ayotte,
Kenneth D.Jordan, and Mark A.Johnson
PP 4853-4857
TE Collision-induced intramolecular energy flow and C-H bond
dissociation in excited toluene
AU J.Ree, Y.H.Kim, and H.K.Shin
PP 4858-4870
TE Dalitz plot analysis of three-body fragmentation of Na_{3}^{+}
excited by He impact
AU D.Babikov, E.A.Gislason, M.Sizun, F.Aguillon, V.Sidis, M.Barat,
J.C.Brenot, J.A.Fayeton, and Y.J.Picard
PP 4871-4876
TE Collisional removal of O_{2}(b ^{1}Sigma_{g}^{+},upsilon=2,3)
AU Konstantinos S.Kalogerakis, Richard A.Copeland, and Tom G.Slanger
PP 4877-4885
TE Rotational spectra, structures, and dynamics of small
Ar_{m}-(H_{2}O)_{n} clusters: The Ar-(H_{2}O)_{2} trimer
AU E.Arunan, T.Emilsson, and H.S.Gutowsky
PP 4886-4895
TE Collisional dynamics of Bi_{2} A(0_{u}^{+}). II. State-to-state
rotational energy transfer
AU Robert E.Franklin and Glen P.Perram
PP 4896-4900
TE Theoretical investigation of iron carbide, FeC
AU Demeter Tzeli and Aristides Mavridis
PP 4901-4921
TE The Stark effect in the v^{+}=1 autoionizing Rydberg states of NO
AU A.L.Goodgame, H.Dickinson, S.R.Mackenzie, and T.P.Softley
PP 4922-4937
TE One-color multiphoton threshold photoelectron spectra of methyl
bromide, and their comparison with methyl iodide
AU Bernhard Urban and Vladimir E.Bondybey
PP 4938-4947
TE Potential energy surface and lower bound states of HCCH-Cl^{-}
AU Markus Meuwly, P.Peter Wolynec, and Evan J.Bieske
PP 4948-4954
TE Vibrational spectroscopy and photodissociation of jet-cooled ammonia
AU Andreas Bach, J.Matthew Hutchison, Robert J.Holiday,
and F.Fleming Crim
PP 4955-4961
TE The molecular origins of the two-dimensional Raman spectrum of
an atomic liquid. I. Molecular dynamics simulation
AU Ao Ma and Richard M.Stratt
PP 4962-4971
TE The molecular origins of the two-dimensional Raman spectrum of
an atomic liquid. II. Instantaneous-normal-mode theory
AU Ao Ma and Richard M.Stratt
PP 4972-4984
TE Correlation time of density fluctuation for supercritical
ethylene studied by dynamic light scattering
AU Ken-ichi Saitow, Hiroto Ochiai, Tadashi Kato, and Keiko Nishikawa
PP 4985-4992
TE Electronic relaxation of aniline in argon matrix: A site
selective laser spectroscopy
AU C.Gee, A.Cuisset, L.Divay, and C.Crepin
PP 4993-5001
TE A cluster model for the viscous flow of glass-forming liquids
AU G.J.Fan and H.J.Fecht
PP 5002-5006
TE Collective many-body resonances in condensed phase nonlinear
spectroscopy
AU Andreas Tortschanoff and Shaul Mukamel
PP 5007-5022
TE An integrated effective fragment-polarizable continuum approach
to solvation: Theory and application to glycine
AU Pradipta Bandyopadhyay, Mark S.Gordon, Benedetta Mennucci, and Jacopo Tomasi
PP 5023-5032
TE Temperature, density, and pressure dependence of relaxation
times in supercooled liquids
AU Christiane Alba-Simionesco, Daniel Kivelson, and Gilles Tarjus
PP 5033-5038
TE Solvation of a solvophobic sphere
AU J.R.Henderson
PP 5039-5045
TE Understanding the sensitivity of nucleation kinetics: A case study on water
AU Shawn M.Kathmann, Gregory K.Schenter, and Bruce C.Garrett
PP 5046-5057
TE Vibration-rotation spectra of HCl in rare-gas liquid mixtures:
Molecular dynamics simulations of Q-branch absorption
AU A.Medina, J.M.M.Roco, A.Calvo Hernandez, S.Velasco, M.O.Bulanin,
W.A.Herrebout, and B.J.van der Veken
PP 5058-5065
TE Homogeneous nucleation near a second phase transition and Ostwald's step rule
AU Z.Tavassoli and R.P.Sear
PP 5066-5072
TE Dynamics of propylene glycol and its 7-mer by neutron scattering
AU J.Swenson, I.Koeper, and M.T.F.Telling
PP 5073-5079
TE On the multiple time scales in solvation dynamics: A
mode-coupling theory approach
AU S.A.Egorov, R.Aldrin Denny, and David R.Reichman
PP 5080-5089
TE Effects of the Ewald sum on the free energy of the extended
simple point charge model for water
AU Brendan W.Arbuckle and Paulette Clancy
PP 5090-5098
TE Field-induced director dynamics in a nematic liquid crystal: A
molecular site dependence?
AU G.R.Luckhurst, T.Miyamoto, A.Sugimura, and B.A.Timimi
PP 5099-5106
TE Non-Lorentzian spectral diffusion line shapes in glasses:
Analysis based on the two-level-system model
AU B.M.Kharlamov and G.Zumofen
PP 5107-5114
TE Development of transferable interaction models for water. IV. A
flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent
charges derived from an ab initio monomer dipole moment surface
AU C.J.Burnham and S.S.Xantheas
PP 5115-5124
TE Temperature dependence of the sticking coefficient of methyl
radicals at hydrocarbon film surfaces
AU Matthias Meier and Achim von Keudell
PP 5125-5136
TE Diffusion into a nanoparticle with first-order surface reaction
confined within a sphere
AU Shing Bor Chen and Heng-Kwong Tsao
PP 5137-5142
TE Structure and dynamics of ice Ih films upon HCl adsorption between 190 and
270 K. I. Neutron diffraction and quasielastic neutron scattering experiments
AU B.Demirdjian, D.Ferry, J.Suzanne, C.Toubin, S.Picaud,
P.N.M.Hoang, and C.Girardet
PP 5143-5149
TE Structure and dynamics of ice Ih films upon HCl adsorption
between 190 and 270 K. II. Molecular dynamics simulations
AU C.Toubin, S.Picaud, P.N.M.Hoang, C.Girardet, B.Demirdjian,
D.Ferry, and J.Suzanne
PP 5150-5157
TE Dynamical heterogeneities below the glass transition
AU K.Vollmayr-Lee, W.Kob, K.Binder, and A.Zippelius
PP 5158-5166
TE Time dependence of forces between mica surfaces in water and its
relation to the release of surface ions
AU Uri Raviv, Pierre Laurat, and Jacob Klein
PP 5167-5172
TE Nonlinear optical response and yield in the femtosecond photodesorption
of CO from the Cu(001) surface: A density matrix treatment
AU D.A.Micha, A.Santana, and A.Salam
PP 5173-5185
TE Crystal growth and interface relaxation rates from fluctuations
in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system
AU H.L.Tepper and W.J.Briels
PP 5186-5195
TE Upconversion luminescence in Yb^{3+} doped CsMnCl_{3}:
Spectroscopy, dynamics, and mechanisms
AU Rafael Valiente, Oliver S.Wenger, and Hans U.Guedel
PP 5196-5204
TE A model for the kinetics of protein folding: Kinetic Monte Carlo
simulations and analytical results
AU Dmitrii E.Makarov and Horia Metiu
PP 5205-5216
TE Segment diffusion and nuclear magnetic resonance spin-lattice relaxation of
polymer chains confined in tubes: Analytical treatment and Monte Carlo
simulation of the crossover from Rouse to reptation dynamics
AU Alexei Denissov, Margarita Kroutieva, Nail Fatkullin, and Rainer Kimmich
PP 5217-5230
TE Optimal control of ground-state dynamics in polymers
AU D.Zeidler, S.Frey, W.Wohlleben, M.Motzkus, F.Busch, T.Chen,
W.Kiefer, and A.Materny
PP 5231-5235
TE Mechanical properties and stability of multimacroion domains in
polyelectrolyte solutions
AU Marian Sedlak
PP 5236-5245
TE Long-time stability of multimacroion domains in polyelectrolyte solutions
AU Marian Sedlak
PP 5246-5255
TE Generation of multimacroion domains in polyelectrolyte solutions
by change of ionic strength or pH
AU Marian Sedlak
PP 5256-5262
TE Structural and energetic heterogeneity in protein folding. I.Theory
AU Steven S.Plotkin and Jose N.Onuchic
PP 5263-5283
TE Brownian dynamics simulations of salt-free polyelectrolyte solutions
AU Rakwoo Chang and Arun Yethiraj
PP 5284-5298
TE Phase transitions in solutions of semiflexible polyelectrolytes
AU K.Ghosh, G.A.Carri, and M.Muthukumar
PP 5299-5307
TE Integral equation theory for the structure of DNA solutions
AU Chwen-Yang Shew and Arun Yethiraj
PP 5308-5314
TE On the structure of polyelectrolyte solutions near the idealized
counterion condensation threshold
AU James P.Donley
PP 5315-5324
LETTERS TO THE EDITOR
TE Erratum: "Density-functional theory of the crystallization of
hard polymeric chains" [J. Chem. Phys., v.115, 7744 (2001)]
AU Nazar Sushko, Paul van der Schoot, and M.A.J.Michels
PP 5325