Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.22 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (65 articles)

9885 - 9888	Evidence of a dihydrogen bond in gas phase: Phenol-borane-dimethylamine complex Patwari GN, Ebata T, Mikami N
9889 - 9892	Exploring the OH plus CO reaction coordinate via infrared spectroscopy of the OH-CO reactant complex Lester MI, Pond BV, Anderson DT, Harding LB, Wagner AF
9893 - 9896	Separation of cascaded and direct fifth-order Raman signals using phase-sensitive intrinsic heterodyne detection Golonzka O, Demirdoven N, Khalil M, Tokmakoff A
9897 - 9900	Dynamics of harpooning studied by transition state spectroscopy. II. Li center dot center dot FH Hudson AJ, Oh HB, Polanyi JC, Piecuch P
9901 - 9904	A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman G, Uberuaga BP, Jonsson H
9905 - 9910	Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium Landau A, Eliav E, Ishikawa Y, Kaldor U
9911 - 9919	Overdamped Brownian motion in periodic symmetric potentials Branka AC, Das AK, Heyes DM
9920 - 9929	Reorientational angle distribution and diffusion coefficient for nodal and cylindrical surfaces Plewczynski D, Holyst R
9930 - 9939	Densities of states in gases, liquids, and solids Poland D
9940 - 9947	Electric field effects on the ionic-neutral curve crossing of alkali halide molecules Sousa C, Dominguez-Ariza D, de Graaf C, Illas F
9948 - 9956	Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem Wang HB
9957 - 9965	An improved ab initio relativistic zeroth-order regular approximation correct to order 1/c(2) Klopper W, van Lenthe JH, Hennum AC
9966 - 9977	Reduced multireference coupled cluster method: Ro-vibrational spectra of N-2 Li XZ, Paldus J
9978 - 9985	Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points Henkelman G, Jonsson H
9986 - 10001	Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T) Schutz M
10002 - 10012	Excited state localization in organic molecules consisting of conjugated and nonconjugated segments Zojer E, Buchacher P, Wudl F, Cornil J, Calbert JP, Bredas JL, Leising G
10013 - 10027	New tau-dependent correlation functional combined with a modified Becke exchange Proynov E, Chermette H, Salahub DR
10028 - 10036	Time dependent quantum propagation in phase space Shalashilin DV, Child MS
10037 - 10043	Linear scaling computation of the Fock matrix. V. Hierarchical cubature for numerical integration of the exchange-correlation matrix Challacombe M
10044 - 10050	Angular distributions of scattered electrons from gaseous benzene molecules Gianturco FA, Lucchese RR
10051 - 10055	Resonant two-photon ionization and laser induced fluorescence spectroscopy of jet-cooled adenine Kim NJ, Jeong G, Kim YS, Sung J, Kim SK, Park YD
10056 - 10061	Inhomogeneous speed effects on H-2 vibrational line profiles in ternary mixtures Joubert P, Bruet X, Bonamy J, Robert D, Chaussard F, Saint-Loup R, Berger H
10062 - 10067	Ab initio molecular dynamics studies of the photodissociation of formaldehyde, H2CO -> H-2+CO: Direct classical trajectory calculations by MP2 and density functional theory Li XS, Millam JM, Schlegel HB
10068 - 10072	Intramolecular energy transfer in highly vibrationally excited methanol. IV. Spectroscopy and dynamics of (CH3OH)-C-13 Chirokolava A, Perry DS, Boyarkin OV, Schmid M, Rizzo TR
10073 - 10090	Photodissociation of H2O at 121.6 nm: A state-to-state dynamical picture Harich SA, Hwang DWH, Yang XF, Lin JJ, Yang XM, Dixon RN
10091 - 10099	The role of conical intersections in the nonadiabatic quenching of OH(A (2)Sigma(+)) by molecular hydrogen Hoffman BC, Yarkony DR
10100 - 10104	Evaluating free energy, enthalpy, and entropy of protonated water clusters by a grand canonical Monte Carlo simulation Kusaka I, Oxtoby DW
10105 - 10113	Time-dependent quantum wave packet studies of the F + HCl and F + DCl reactions Tang BY, Yang BH, Han KL, Zhang RQ, Zhang JZH
10114 - 10120	Electron-pair momentum densities of heavy atoms Cs through Lr Koga T, Matsuyama H
10121 - 10129	Intermolecular potential-energy surface for the Ar-SH((2)Pi(i)) complex studied by Fourier-transform microwave spectroscopy Sumiyoshi Y, Endo Y, Ohshima Y
10130 - 10142	Time evolution of reactants, intermediates, and products in the vibrational predissociation of Br-2 center dot center dot center dot Ne: A theoretical study Miguel B, Bastida A, Zuniga J, Requena A, Halberstadt N
10143 - 10153	Fine structure of the H-2 5g-4f inter-Rydberg transition revealed by difference frequency laser spectroscopy Uy D, Gabrys CM, Oka T, Cotterell BJ, Stickland RJ, Jungen C, Wuest A
10154 - 10157	Rotationally resolved infrared spectrum of the Cl--H-2 anion complex Wild DA, Wilson RL, Weiser PS, Bieske EJ
10158 - 10168	The hydrogen fluoride dimer in liquid helium: A prototype system for studying solvent effects on hydrogen bonding Nauta K, Miller RE
10169 - 10173	The AlCO- and Al(CO)(2)(-) anions: Matrix isolation infrared spectra and density functional theory studies Zhang LN, Dong J, Zhou MF, Qin QZ
10174 - 10179	Non-Debye screening in ionic solutions: Generalization of the modified mean spherical approximation Varela LM, Ruso JM, Garcia M, Mosquera V
10180 - 10185	Consistency conditions and equation of state for additive hard-sphere fluid mixtures Barrio C, Solana JR
10186 - 10190	Equation of state of the rigid disk fluid from its triangle distribution Stillinger FH, Stillinger DK, Torquato S, Truskett TM, Debenedetti PG
10191 - 10201	Photoinduced intermolecular electron transfer in complex liquids: Experiment and theory Tavernier HL, Kalashnikov MM, Fayer MD
10202 - 10206	Raman and absorption spectrum of mass-selected lutetium dimers in argon matrices Fang L, Chen XY, Shen XL, Lombardi JR
10207 - 10214	Modeling of dispersive nonphotochemical hole growth kinetics data: Al-phthalocyanine tetrasulphonate in hyperquenched glassy water Reinot T, Small GJ
10215 - 10225	Cation-vacancy ordering in dehydrated Na-6[AlSiO4](6) Shannon SR, Campbell BJ, Metiu H, Blake NP
10226 - 10239	The cation-vacancy ordering transition in dehydrated Na-6 sodalite Campbell BJ, Delgado JM, Cheetham AK, Iversen BB, Blake NP, Shannon SR, Latturner S, Stucky GD
10240 - 10245	Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model Cui QZ, Smith VH
10246 - 10251	Wetting of glass surfaces by ionic magnetic fluids: Effect of the concentration and the pH of the solution and of the size of the magnetic grains on a surface stabilized birefringent layer Magalhaes M, Neto AMF, Bee A, Bourdon A
10252 - 10264	Surface diffusion in mixed overlayers with superlattice ordering: Percolative transport around obstacles and along domain boundaries Liu DJ, Evans JW
10265 - 10271	Adsorbate aggregation and relaxation of low-frequency vibrations Pykhtin MV, Rappe AM, Lewis SP
10272 - 10278	Kinetics of ordering for a ternary alloy in the pair approximation Ni J, Gu BL, Ashino T, Iwata S
10279 - 10283	Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO Albano EV, Marro J
10284 - 10292	Nonexponential decay of velocity correlations in surface diffusion: The role of interactions and ordering Vattulainen I, Hjelt T, Ala-Nissila T, Ying SC
10293 - 10303	On the magnetic anisotropy of lanthanide-containing metallomesogens Mironov VS, Galyametdinov YG, Ceulemans A, Binnemans K
10304 - 10312	The degree of dissociation of ionic surfactant shells within a W/O microdroplet Tsao HK, Sheng YJ, Lu CYD
10313 - 10322	Methane isotopomers adsorbed on KBr(100): An exploration of adsorbate orientation and rotation Davis KA, Ewing GE
10323 - 10332	Nucleation and coarsening during epitaxy on a substrate subject to periodic strain: Spatial ordering and size uniformity Mattsson TR, Metiu H
10333 - 10343	The dynamics of O-2 adsorption on Pt(533): Step mediated molecular chemisorption and dissociation Gee AT, Hayden BE
10344 - 10352	Transient effects in ultra shallow depth profiling of silicon by secondary ion mass spectrometry van der Heide PAW, Lim MS, Perry SS, Rabalais JW
10353 - 10360	Kinetic oscillations in the catalytic CO oxidation on Pt(100) with adsorbed impurities Chavez F, Vicente L, Perera A
10361 - 10366	Role of dye structure in photoinduced reorientation of dye-doped liquid crystals Marrucci L, Paparo D, Vetrano MR, Colicchio M, Santamato E, Viscardi G
10367 - 10376	A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites Elliott JA, Windle AH
10377 - 10385	Localization of random copolymers at a sharp interface: Effect of excluded volume Dwyer S, Trott M, Chen ZY
10386 - 10397	Thin film polymer blends undergoing phase separation and wetting: Identification of early, intermediate, and late stages Wang H, Composto RJ
10398 - 10409	The virial coefficients of the pearl-necklace model Vega C, Labaig JM, MacDowell LG, Sanz E
10410 - 10411	A molecular dynamics study of the transport coefficients of liquid transition and noble metals using effective pair potentials obtained from the embedded atom model Alemany MMG, Gallego LJ, Gonzalez LE, Gonzalez DJ
10412 - 10412	An estimate for the Gibbs energy of amorphous solid waters and differences between the low-density amorph and glassy water (vol 112, pg 8573, 2000) Johari GP
10413 - 10415	Photodissociation spectroscopy of Ag-4(+)(N-2)(m), m = 0-4 (vol 113, pg 5361, 2000) Schooss D, Gilb S, Kaller J, Kappes MM, Furche F, Kohn A, May K, Ahlrichs R