Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.13 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

6105 - 6109	Signal irreproducibility in high-field solution magnetic resonance experiments caused by spin turbulence Huang SY, Walls JD, Wang Y, Warren WS, Lin YY
6110 - 6116	State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve Chan GKL, Kallay M, Gauss J
6117 - 6133	Quantum process tomography of the quantum Fourier transform Weinstein YS, Havel TF, Emerson J, Boulant N, Saraceno M, Lloyd S, Cory DG
6134 - 6144	A framework model based on the Smoluchowski equation in two reaction coordinates Schumaker MF, Watkins DS
6145 - 6154	Quadratic response functions in the time-dependent four-component Hartree-Fock approximation Norman P, Jensen HJA
6155 - 6166	Vibronic coupling and double excitations in linear response time-dependent density functional calculations: Dipole-allowed states of N-2 Neugebauer J, Baerends EJ, Nooijen M
6167 - 6174	Fluctuation theorem and Onsager reciprocity relations Andrieux D, Gaspard P
6175 - 6185	Complex autocorrelation function and energy spectrum by classical trajectory calculations Zdanska PR, Moiseyev N
6186 - 6194	Atomic force algorithms in density functional theory electronic-structure techniques based on local orbitals Miyazaki T, Bowler DR, Choudhury R, Gillan MJ
6195 - 6206	An exactly solvable model for a ternary solution with three-body interactions and orientationally dependent bonding Buzatu FD, Lungu RP, Huckaby DA
6207 - 6225	Phase space conduits for reaction in multidimensional systems: HCN isomerization in three dimensions Waalkens H, Burbanks A, Wiggins S
6226 - 6239	Parameter space minimization methods: Applications to Lennard-Jones-dipole-dipole clusters Oppenheimer CA, Curotto E
6240 - 6248	Microwave investigation of the CO-CH4 van der Waals complex Liu YQ, Jager W
6249 - 6253	Nonrelativistic molecular quantum mechanics without approximations: Electron affinities of LiH and LiD Bubin S, Adamowicz L
6254 - 6257	Crossed beams study of the reaction (CH2)-C-1+C2H2 -> C3H3+H Davis HF, Shu JN, Peterka DS, Ahmed M
6258 - 6267	Fast hydrogen elimination from the [Ru(PH3)(3)(CO)(H)(2)] and [Ru(PH3)(4)(H)(2)] complexes in the first singlet excited states: A diabatic quantum dynamics study Vendrell O, Moreno M, Lluch JM
6268 - 6276	Vicinal fluorine-fluorine coupling constants: Fourier analysis San Fabian J, Hoekzema AJAW
6277 - 6281	The effect of electron detachment on the structure and properties of the chlorine-acetonitrile anionic complex Rode MF, Roszak S, Szymczak JJ, Sadlej J, Leszczynski J
6282 - 6289	Energy levels and wave functions of weakly-bound He-4(x) (NeyH)-Ne-20 (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach Liu YD, Roy PN
6290 - 6297	High-resolution spectroscopy of the 2(2)Pi(u)<- X-4 Sigma(-)(g) forbidden transitions of C-2(+) Tarsitano CG, Neese CF, Oka T
6298 - 6301	Ab initio study of the electronic spectrum of peroxyacetyl nitrate Francisco JS, Li YM
6302 - 6308	Dynamics of the F atom reaction with propene Ran Q, Yang CH, Lee YT, Shen GL, Yang XM
6309 - 6316	Isotope effects and Born-Oppenheimer breakdown in excited singlet states of the lithium dimer Adohi-Krou A, Martin F, Ross AJ, Linton C, Le Roy RJ
6317 - 6322	High resolution photodetachment spectroscopy of negative ions via slow photoelectron imaging Osterwalder A, Nee MJ, Zhou J, Neumark DM
6323 - 6333	Singular and nonsingular three-body integrals for exponential wave functions Harris FE, Frolov AM, Smith VH
6334 - 6340	Converged quantum dynamics calculations of vibrational energies of CH4 and CH3D using an ab initio potential Yu HG
6341 - 6345	Real-time study of the adiabatic energy loss in an atomic collision with a metal cluster Baer R, Siam N
6346 - 6352	Quantum calculations of the O(P-3)+H-2 -> OH+H reaction Balakrishnan N
6353 - 6360	Infrared spectral profiles in liquids and atom-diatom interactions Medina A, Roco JMM, Hernandez AC, Velasco S
6361 - 6372	Single molecule kinetics. I. Theoretical analysis of indicators Witkoskie JB, Cao JS
6373 - 6379	Single molecule kinetics. II. Numerical bayesian approach Witkoskie JB, Cao JS
6380 - 6385	Intermolecular association in liquid N-methylacetamide as studied by x-ray scattering Trabelsi S, Nasr S
6386 - 6391	Optical control of two-photon excitation efficiency of alpha-perylene crystal by pulse shaping Okada T, Otake I, Mizoguchi R, Onda K, Kano SS, Wada A
6392 - 6400	Grand canonical Monte Carlo simulations of water in protein environments Woo HJ, Dinner AR, Roux B
6401 - 6405	Polaron-exciton model of resonance energy transfer Markvart T, Greef R
6406 - 6411	The solvation structure of Pb(II) in dilute aqueous solution: An ab initio quantum mechanical/molecular mechanical molecular dynamics approach Hofer TS, Rode BM
6412 - 6422	A centroid molecular dynamics study of liquid para-hydrogen and ortho-deuterium Hone TD, Voth GA
6423 - 6434	Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation using ab initio potentials Nasrabad AE, Laghaei R, Deiters UK
6435 - 6441	Temperature dependence of density, thermal expansion coefficient and shear viscosity of supercooled glycerol as a reflection of its structure Blazhnov IV, Malomuzh NP, Lishchuk SV
6442 - 6447	Transition path sampling study of classical rate-promoting vibrations Antoniou D, Abolfath MR, Schwartz SD
6448 - 6455	On the variation of the structure of liquid deuterium fluoride with temperature McLain SE, Benmore CJ, Siewenie JE, Molaison JJ, Turner JFC
6456 - 6462	Methanol-water solutions: A bi-percolating liquid mixture Dougan L, Bates SP, Hargreaves R, Fox JP, Crain J, Finney JL, Reat V, Soper AK
6463 - 6469	Nonequilibrium charge recombination from the excited adiabatic state of donor-acceptor complexes Mikhailova VA, Ivanov AI, Vauthey E
6470 - 6477	Relaxation modes in glass forming meta-toluidine Carpentier L, Decressain R, Descamps M
6478 - 6484	Trapping of excitons at chemical defects in polyethylene Ceresoli D, Tosatti E, Scandolo S, Santoro G, Serra S
6485 - 6492	Theoretical investigation on electron transport through an organic molecule: Effect of the contact structure Nara J, Geng WT, Kino H, Kobayashi N, Ohno T
6493 - 6501	Quantum dynamics of H-2 formation on a graphite surface through the Langmuir Hinshelwood mechanism Morisset S, Aguillon F, Sizun M, Sidis V
6502 - 6507	Melting, freezing, sublimation, and phase coexistence in sodium chloride nanocrystals Breaux GA, Benirschke RC, Jarrold MF
6508 - 6517	Shearing of nanoscopic bridges in two-component thin liquid layers between chemically patterned walls Hemming CJ, Patey GN
6518 - 6524	Island morphology statistics and growth mechanism for oxidation of the Al(111) surface with thermal O-2 and NO Sexton JZ, Kummel AC
6525 - 6537	Optimized Baxter model of protein solutions: Electrostatics versus adhesion Prinsen P, Odijk T
6538 - 6546	Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene Guerrault X, Rousseau B, Farago J
6547 - 6554	Exclusion zone of convex brushes in the strong-stretching limit Belyi VA
6555 - 6560	A simple theory of the interaction between polymer brushes immersed in a supercritical fluid Chervanyov AI, Egorov SA
6561 - 6572	Effects of the bead-bead potential on the restricted rotational diffusion of nonrigid macromolecules Uvarov A, Fritzsche S
6573 - 6574	Comment on "Probing the sulfur polymerization transition in situ with Raman spectroscopy" [J. Chem. Phys. 118, 8460 (2003)] Steudel R, Eckert B
6575 - 6577	Response to "Comment on'Probing in situ the sulfur polymerization transition with Raman spectroscopy'" [J. Chem. Phys. 121, 6573 (2004)] Yannopoulos SN, Andrikopoulos KS, Kalampounias AG