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


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

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