Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.12 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (66 articles)

4755 - 4757	Direct measurement of the binding energy of the NO dimer Wade EA, Cline JI, Lorenz KT, Hayden C, Chandler DW
4758 - 4761	Anomalous isotopic effect on vibrational properties of HXeOH Khriachtchev L, Lundell J, Pettersson M, Tanskanen H, Rasanen M
4762 - 4764	Cationic molecular wave packets: "Settin' the pace" Grafe S, Erdmann M, Engel V
4765 - 4768	A comparison of self-assembly in lattice and off-lattice model amphiphile solutions Bedrov D, Smith GD, Freed KF, Dudowicz J
4769 - 4772	State-to-state dynamics of H+HD -> H-2+D at 0.5 eV: A combined theoretical and experimental study Harich SA, Dai D, Yang XM, Chao SD, Skodje RT
4773 - 4776	Analytic second derivatives for the full coupled-cluster singles, doubles, and triples model: Nuclear magnetic shielding constants for BH, HF, CO, N-2, N2O, and O-3 Gauss J
4777 - 4781	Critical length and time scales during the initial stages of nucleation in polymer blends Lefebvre AA, Lee JH, Balsara NP, Hammouda B
4782 - 4786	Multicanonical ensemble with Nose-Hoover molecular dynamics simulation Jang SM, Pak Y, Shin SM
4787 - 4801	Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. II. Spin-free formulation Kutzelnigg W, Mukherjee D
4802 - 4807	Density matrix functional theory of weak intermolecular interactions Cioslowski J, Pernal K
4808 - 4818	An effective centroid Hamiltonian and its associated centroid dynamics for indistinguishable particles in a harmonic trap Blinov N, Roy PN
4819 - 4828	Exploiting past visits or minimum-barrier knowledge to gain further boost in the temperature-accelerated dynamics method Montalenti F, Voter AF
4829 - 4836	The effective group potential, a new method for the study of spectrum in large molecules: Tests and perspectives Heully JL, Poteau R, Berasaluce S, Alary F
4837 - 4841	Magnetic sublevel specific stimulated Raman pumping of molecular H-2 Cureton-Chinn S, Kelly PB, Augustine MP
4842 - 4846	A quasiclassical trajectory study of O(D-1) plus HCl reactive scattering on an improved ab initio surface Christoffel KM, Bowman JM
4847 - 4852	Photodissociation spectroscopy of Al+-acetaldehyde Lu WY, Acar M, Kleiber PD
4853 - 4857	Infrared predissociation spectroscopy of I-center dot(CH3OH)(n), n=1,2: Cooperativity in asymmetric solvation Robertson WH, Karapetian K, Ayotte P, Jordan KD, Johnson MA
4858 - 4870	Collision-induced intramolecular energy flow and C-H bond dissociation in excited toluene Ree J, Kim YH, Shin HK
4871 - 4876	Dalitz plot analysis of three-body fragmentation of Na-3(+) excited by He impact Babikov D, Gislason EA, Sizun M, Aguillon F, Sidis V, Barat M, Brenot JC, Fayeton JA, Picard YJ
4877 - 4885	Collisional removal of O-2(b (1)Sigma(+)(g),upsilon=2,3) Kalogerakis KS, Copeland RA, Slanger TG
4886 - 4895	Rotational spectra, structures, and dynamics of small Ar-m-(H2O)(n) clusters: The Ar-(H2O)(2) trimer Arunan E, Emilsson T, Gutowsky HS
4896 - 4900	Collisional dynamics of Bi-2 A(0(u)(+)). II. State-to-state rotational energy transfer Franklin RE, Perram GP
4901 - 4921	Theoretical investigation of iron carbide, FeC Tzeli D, Mavridis A
4922 - 4937	The Stark effect in the v(+)=1 autoionizing Rydberg states of NO Goodgame AL, Dickinson H, Mackenzie SR, Softley TP
4938 - 4947	One-color multiphoton threshold photoelectron spectra of methyl bromide, and their comparison with methyl iodide Urban B, Bondybey VE
4948 - 4954	Potential energy surface and lower bound states of HCCH-Cl- Meuwly M, Wolynec PP, Bieske EJ
4955 - 4961	Vibrational spectroscopy and photodissociation of jet-cooled ammonia Bach A, Hutchison JM, Holiday RJ, Crim FF
4962 - 4971	The molecular origins of the two-dimensional Raman spectrum of an atomic liquid. I. Molecular dynamics simulation Ma A, Stratt RM
4972 - 4984	The molecular origins of the two-dimensional Raman spectrum of an atomic liquid. II. Instantaneous-normal-mode theory Ma A, Stratt RM
4985 - 4992	Correlation time of density fluctuation for supercritical ethylene studied by dynamic light scattering Saitow K, Ochiai H, Kato T, Nishikawa K
4993 - 5001	Electronic relaxation of aniline in argon matrix: A site selective laser spectroscopy Gee C, Cuisset A, Divay L, Crepin C
5002 - 5006	A cluster model for the viscous flow of glass-forming liquids Fan GJ, Fecht HJ
5007 - 5022	Collective many-body resonances in condensed phase nonlinear spectroscopy Tortschanoff A, Mukamel S
5023 - 5032	An integrated effective fragment-polarizable continuum approach to solvation: Theory and application to glycine Bandyopadhyay P, Gordon MS, Mennucci B, Tomasi J
5033 - 5038	Temperature, density, and pressure dependence of relaxation times in supercooled liquids Alba-Simionesco C, Kivelson D, Tarjus G
5039 - 5045	Solvation of a solvophobic sphere Henderson JR
5046 - 5057	Understanding the sensitivity of nucleation kinetics: A case study on water Kathmann SM, Schenter GK, Garrett BC
5058 - 5065	Vibration-rotation spectra of HCl in rare-gas liquid mixtures: Molecular dynamics simulations of Q-branch absorption Medina A, Roco JMM, Calvo Hernandez A, Velasco S, Bulanin MO, Herrebout WA, van der Veken BJ
5066 - 5072	Homogeneous nucleation near a second phase transition and Ostwald's step rule Tavassoli Z, Sear RP
5073 - 5079	Dynamics of propylene glycol and its 7-mer by neutron scattering Swenson J, Koper I, Telling MTF
5080 - 5089	On the multiple time scales in solvation dynamics: A mode-coupling theory approach Egorov SA, Denny RA, Reichman DR
5090 - 5098	Effects of the Ewald sum on the free energy of the extended simple point charge model for water Arbuckle BW, Clancy P
5099 - 5106	Field-induced director dynamics in a nematic liquid crystal: A molecular site dependence? Luckhurst GR, Miyamoto T, Sugimura A, Timimi BA
5107 - 5114	Non-Lorentzian spectral diffusion line shapes in glasses: Analysis based on the two-level-system model Kharlamov BM, Zumofen G
5115 - 5124	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 Burnham CJ, Xantheas SS
5125 - 5136	Temperature dependence of the sticking coefficient of methyl radicals at hydrocarbon film surfaces Meier M, von Keudell A
5137 - 5142	Diffusion into a nanoparticle with first-order surface reaction confined within a sphere Chen SB, Tsao HK
5143 - 5149	Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. I. Neutron diffraction and quasielastic neutron scattering experiments Demirdjian B, Ferry D, Suzanne J, Toubin C, Picaud S, Hoang PNM, Girardet C
5150 - 5157	Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. II. Molecular dynamics simulations Toubin C, Picaud S, Hoang PNM, Girardet C, Demirdjian B, Ferry D, Suzanne J
5158 - 5166	Dynamical heterogeneities below the glass transition Vollmayr-Lee K, Kob W, Binder K, Zippelius A
5167 - 5172	Time dependence of forces between mica surfaces in water and its relation to the release of surface ions Raviv U, Laurat P, Klein J
5173 - 5185	Nonlinear optical response and yield in the femtosecond photodesorption of CO from the Cu(001) surface: A density matrix treatment Micha DA, Santana A, Salam A
5186 - 5195	Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system Tepper HL, Briels WJ
5196 - 5204	Upconversion luminescence in Yb3+ doped CsMnCl3: Spectroscopy, dynamics, and mechanisms Valiente R, Wenger OS, Gudel HU
5205 - 5216	A model for the kinetics of protein folding: Kinetic Monte Carlo simulations and analytical results Makarov DE, Metiu H
5217 - 5230	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 Denissov A, Kroutieva M, Fatkullin N, Kimmich R
5231 - 5235	Optimal control of ground-state dynamics in polymers Zeidler D, Frey S, Wohlleben W, Motzkus M, Busch F, Chen T, Kiefer W, Materny A
5236 - 5245	Mechanical properties and stability of multimacroion domains in polyelectrolyte solutions Sedlak M
5246 - 5255	Long-time stability of multimacroion domains in polyelectrolyte solutions Sedlak M
5256 - 5262	Generation of multimacroion domains in polyelectrolyte solutions by change of ionic strength or pH (macroion charge) Sedlak M
5263 - 5283	Structural and energetic heterogeneity in protein folding. I. Theory Plotkin SS, Onuchic JN
5284 - 5298	Brownian dynamics simulations of salt-free polyelectrolyte solutions Chang RW, Yethiraj A
5299 - 5307	Phase transitions in solutions of semiflexible polyelectrolytes Ghosh K, Carri GA, Muthukumar M
5308 - 5314	Integral equation theory for the structure of DNA solutions Shew CY, Yethiraj A
5315 - 5324	On the structure of polyelectrolyte solutions near the idealized counterion condensation threshold Donley JP
5325 - 5325	Density-functional theory of the crystallization of hard polymeric chains (vol 115, pg 7744, 2001) Sushko N, van der Schoot P, Michels MAJ