Journal of Chemical Physics

Journal of Chemical Physics, Vol.119, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (76 articles)

1 - 5	Kohn-Sham equations for nanowires with direct current Kosov DS
6 - 9	Infrared-active vibron bands associated with substitutional impurities in solid parahydrogen Hinde RJ
10 - 13	Tunneling splitting in polyatomic molecules: Application to malonaldehyde Mil'nikov GV, Yagi K, Taketsugu T, Nakamura H, Hirao K
14 - 23	A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4 -> H-2+CH3 reaction Wu T, Manthe U
24 - 33	Dissipative quantum dynamics of anharmonic oscillators with the multiconfiguration time-dependent Hartree method Nest M, Meyer HD
34 - 46	Restricted density functional theory of linear time-dependent properties in open-shell molecules Rinkevicius Z, Tunell I, Salek P, Vahtras O, Agren H
47 - 59	The parallel implementation of a full configuration interaction program Gan ZT, Alexeev Y, Gordon MS, Kendall RA
60 - 67	Bohmian versus semiclassical description of interference phenomena Zhao Y, Makri N
68 - 76	Torsional path integral Monte Carlo method for calculating the absolute quantum free energy of large molecules Miller TF, Clary DC
77 - 89	Semiclassically optimized complex absorbing potentials of polynomial form. II. Complex case Poirier B, Carrington T
90 - 93	Exploiting both C-3v symmetry and sparsity in vibrational calculations for methanelike molecules Poirier B
94 - 100	Using C-3v symmetry with polyspherical coordinates for methane Wang XG, Carrington T
101 - 117	A contracted basis-Lanczos calculation of vibrational levels of methane: Solving the Schrodinger equation in nine dimensions Wang XG, Carrington T
118 - 130	Infrared action spectroscopy and time-resolved dynamics of the OD-CO reactant complex Pollack IB, Tsiouris M, Leung HO, Lester MI
131 - 140	Singlet-triplet excitation spectrum of the CO-He complex. I. Potential surfaces and bound-bound CO(a (3)Pi <- X-1 Sigma(+)) transitions Zeimen WB, Groenenboom GC, van der Avoird A
141 - 148	Singlet-triplet excitation spectrum of the CO-He complex. II. Photodissociation and bound-free CO(a (3)Pi <- X-1 Sigma(+)) transitions Zeimen WB, Groenenboom GC, van der Avoird A
149 - 160	Two-pulse atomic coherent control spectroscopy of Eley-Rideal reactions: An application of an atom laser Jorgensen S, Kosloff R
161 - 164	Dynamical tunneling in molecules: Role of the classical resonances and chaos Keshavamurthy S
165 - 169	The strongest bond in the universe? Accurate calculation of compliance matrices for the ions N2H+, HCO+, and HOC+ Grunenberg R, Streubel R, von Frantzius G, Marten W
170 - 175	Millimeter-wave spectroscopy and coupled cluster calculations for a new phosphorus-carbon chain: HC5P Bizzocchi L, Degli Esposti C, Botschwina P
176 - 186	Photodissociation dynamics of ethyl ethynyl ether: A new ketenyl radical precursor Krisch MJ, Miller JL, Butler LJ, Su H, Bersohn R, Shu J
187 - 194	Structures, energetics, and spectra of electron-water clusters, e(-)-(H2O)(2-6) and e(-)-HOD(D2O)(1-5) Lee HM, Lee S, Kim KS
195 - 199	Quantum mechanical investigation of the O+H-2 -> OH+H reaction Balakrishnan N
200 - 214	Reaction of formaldehyde cation with methane: Effects of collision energy and H2CO+ and methane vibrations Liu JB, Van Devener B, Anderson SL
215 - 223	Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C6H6+ and C6D6+ in the (X)over-tilde(2)E(1g) state Kwon CH, Kim HL, Kim MS
224 - 231	Photodissociation of oriented HXeI molecules generated from HI-Xe-n clusters Nahler NH, Baumfalk R, Buck U, Bihary Z, Gerber RB, Friedrich B
232 - 240	Decomposition pathways of dinitramic acid and the dinitramide ion Alavi S, Thompson DL
241 - 250	One- and two-photon excitation vibronic spectra of 2-methylallyl radical at 4.6-5.6 eV Chen CC, Wu HC, Tseng CM, Yang YH, Chen YT
251 - 255	Oxygen atom Rydberg time-of-flight spectroscopy Lin C, Witinski MF, Davis HF
256 - 264	Statistical evaporation of rotating clusters. I. Kinetic energy released Calvo F, Parneix P
265 - 276	Collisional orientation of the benzene molecular plane in supersonic seeded expansions, probed by infrared polarized laser absorption spectroscopy and by molecular beam scattering Pirani F, Bartolomei M, Aquilanti V, Scotoni M, Vescovi M, Ascenzi D, Bassi D, Cappelletti D
277 - 285	Spectrum and vibrational predissociation of the HF dimer. I. Bound and quasibound states Vissers GWM, Groenenboom GC, van der Avoird A
286 - 292	Spectrum and vibrational predissociation of the HF dimer. II. Photodissociation cross sections and product state distributions Vissers GWM, Groenenboom GC, van der Avoird A
293 - 299	The diradical (CH3)(2)CHN and its isomeric molecule (CH3)(2)C = HN: Generation and characterization Sun Z, Wang D, Ding R, Ge M, Wang DX, Chau FT, Mok DKW
300 - 303	Femtosecond photoelectron imaging of pyridazine: S-1 lifetime and (3s((n-1)), 3p((n-1))) Rydberg state energetics Matsumoto Y, Kim SK, Suzuki T
304 - 312	O-H flipping vibrations of the Cage water hexamer: An ab initio study Losada M, Leutwyler S
313 - 324	On the nature of blueshifting hydrogen bonds: Ab initio and density functional studies of several fluoroform complexes Pejov L, Hermansson K
325 - 337	Quantum chemistry calculation of excited three center systems: Theoretical study of He2++H-2 collisions Errea LF, Macias A, Mendez L, Pons B, Riera A
338 - 345	Gas-phase absorption properties of a green fluorescent protein-mutant chromophore: The W7 clone Boye SV, Nielsen IB, Nielsen SB, Krogh H, Lapierre A, Pedersen HB, Pedersen SU, Pedersen UV, Andersen LH
346 - 356	Theoretical study of the ambient-pressure dependence of sonochemical reactions Yasui K, Tuziuti T, Iida Y, Mitome H
357 - 363	Dynamical and structural correlation in supercooled liquids: A molecular dynamics investigation of m- toluidine Chelli R, Cardini G, Procacci P, Righini R, Califano S
364 - 372	Study of dipolar fluid inclusions in charged random matrices Fernaud MJ, Lomba E, Martin C, Levesque D, Weis JJ
373 - 378	Structure of a simple fluid in the vicinity of the critical point: Approximate integral equation theory of liquids Sarkisov GN
379 - 387	Boundary condition effects in the simulation study of equilibrium properties of magnetic dipolar fluids Wang ZW, Holm C, Muller HW
388 - 399	Photoinduced intermolecular electron transfer from aromatic amines to coumarin dyes in sodium dodecyl sulphate micellar solutions Kumbhakar M, Nath S, Pal H, Sapre AV, Mukherjee T
400 - 406	Partition function for a simple liquid using cell theory parametrized by computer simulation Henchman RH
407 - 412	Photochemistry of caged molecules: CD3Cl@lce Lilach Y, Asscher M
413 - 422	Molecular structure and order of hexaoctyloxy-rufigallol in the solid and columnar phases: Analysis of H-2-C-13 dipolar and C-13 chemical-shift interactions Dvinskikh SV, Sandstrom D, Luz Z, Zimmermann H, Maliniak A
423 - 434	Structural dynamics of hydrogen bonded methanol oligomers: Vibrational transient hole burning studies of spectral diffusion Piletic IR, Gaffney KJ, Fayer MD
435 - 442	Relaxation strength of localized motions in D-sorbitol and mimicry of glass-softening thermodynamics Power G, Johari GP, Vij JK
443 - 452	Photophysical properties of coumarin-120: Unusual behavior in nonpolar solvents Pal H, Nad S, Kumbhakar M
453 - 463	Formal study of nucleation as described by fluctuation theory MacDowell LG
464 - 477	The effects of anion and cation substitution on the ultrafast solvent dynamics of ionic liquids: A time-resolved optical Kerr-effect spectroscopic study Giraud G, Gordon CM, Dunkin IR, Wynne K
478 - 483	Critical point corrections for lattice systems Aranovich GL, Donohue MD
484 - 487	Electric field induced second harmonic generation: Second and third-order hyperpolarizabilities of 4-amino-4'-nitrodiphenyl sulfoxide Abdel-Halim HM
488 - 495	Density functional study of hydrogen adsorption at low temperatures Gu C, Gao GH, Yu YX
496 - 504	Molecular simulation of diffusion and sorption of gases in an amorphous polymer Lim SY, Tsotsis TT, Sahimi M
505 - 508	Relationship between the frequency of the main LO mode of silica glass and angle of incidence Wang TB, Liu ZG, Tan CZ
509 - 514	Diffusion and vibration of CO molecules adsorbed on a Cu(100) surface: A periodic density functional theory study Fouquet P, Olsen RA, Baerends EJ
515 - 523	Selective ion photodesorption from NO adsorbed on Si(111)7 x 7 following core excitation Hellner L, Comtet G, Ramage MJ, Bobrov K, Carbone M, Dujardin G
524 - 532	Quantification of lateral repulsion between coadsorbed CO and N on Rh(100) using temperature-programmed desorption, low-energy electron diffraction, and Monte Carlo simulations van Bavel AP, Hopstaken MJP, Curulla D, Niemantsverdriet JW, Lukkien JJ, Hilbers PAJ
533 - 537	Irreversible sequential adsorption of k-mers with diffusional relaxation on a one-dimensional lattice Lee JW, Hong BH
538 - 546	Structures and electronic properties of aluminum nanowires Makita T, Doi K, Nakamura K, Tachibana A
547 - 554	A surface forces platform for dielectric measurements Cho YK, Granick S
555 - 564	Application of density functional theory to tethered polymer chains: Effect of intermolecular attractions Ye Y, McCoy JD, Curro JG
565 - 571	Time-resolved small angle neutron scattering measurements of asphaltene nanoparticle aggregation kinetics in incompatible crude oil mixtures Mason TG, Lin MY
572 - 584	Diffusion assisted end-to-end relaxation of a flexible Rouse polymer chain: Fluorescence quenching through a model energy transfer Bandyopadhyay T, Ghosh SK
585 - 589	Depletion force and torque on an ellipsoid Li WH, Ma HR
590 - 595	Monte Carlo simulations of conformations of short chains near a cylindrical rod Chen SB, Wang XY, Chiew YC
596 - 605	"Water-free" computer model for fluid bilayer membranes Farago O
606 - 619	Three-particle contribution to effective viscosity of hard-sphere suspensions Cichocki B, Ekiel-Jezewska ML, Wajnryb E
620 - 627	Verification of generalized Kramers-Kronig relations and sum rules on experimental data of third harmonic generation susceptibility on polymer Lucarini V, Peiponen KE
628 - 634	Interplay between hydrodynamic and direct interactions using liposomes Haro-Perez C, Quesada-Perez M, Callejas-Fernandez J, Casals E, Estelrich J, Hidalgo-Alvarez R
635 - 637	On the entropy equations for a liquid's relaxation time at high pressures Johari GP
638 - 638	Nuclear motion and Breit-Pauli corrections to the diamagnetism of atomic helium (vol 117, pg 3243, 2002) Bruch LW, Weinhold F
639 - 639	Density functional theory for the elastic moduli of a model polymeric solid (vol 118, pg 6594, 2003) Sushko N, van der Schoot P, Michels MAJ