Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

9205 - 9208	Traversal time for electron tunneling in water Galperin M, Nitzan A, Peskin U
9209 - 9219	Nonrelativistic dynamics of particles with characteristic spins and anomalous magnetic moments in a homogeneous magnetic field Datta SN, Misra A
9220 - 9235	Generalized forward-backward initial value representation for the calculation of correlation functions in complex systems Thoss M, Wang HB, Miller WH
9236 - 9243	The calculation of C-13 chemical shielding tensors in ionic compounds utilizing point charge arrays obtained from Ewald lattice sums Stueber D, Guenneau FN, Grant DM
9244 - 9253	Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited Dunning TH, Peterson KA, Wilson AK
9254 - 9264	Accelerating the calculation of energy levels and wave functions using an efficient preconditioner with the inexact spectral transform method Poirier B, Carrington T
9265 - 9275	Onset of homogeneous oscillations in reactive systems Mansour MM, Dethier J, Baras F
9276 - 9286	Analysis on the Cina-Harris proposal for the preparation and detection of chiral superposition states Duarte-Zamorano RP, Romero-Rochin V
9287 - 9295	Extension of gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga-Kr Curtiss LA, Redfern PC, Rassolov V, Kedziora G, Pople JA
9296 - 9304	Description of tunneling with the help of coupled frozen Gaussians Shalashilin DV, Child MS
9305 - 9314	A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories Hack MD, Truhlar DG
9315 - 9324	Systematic treatment of relativistic effects accurate through arbitrarily high order in alpha(2) Barysz M
9325 - 9336	Constructing global functional maps between molecular potentials and quantum observables Geremia JM, Rabitz H, Rosenthal C
9337 - 9349	Rapid estimation of electronic degrees of freedom in Monte Carlo calculations for polarizable models of liquid water Mahoney MW, Jorgensen WL
9350 - 9360	Studies of angular distributions and cross sections for photodetachment from the oxygen molecular anion Lin P, Lucchese RR
9361 - 9366	First high resolution analysis of the absorption spectrum of propane in the 6.7 mu m to 7.5 mu m spectral region Flaud JM, Lafferty WJ, Herman M
9367 - 9370	Electronic states of the manganese dimer ion probed by photodissociation spectroscopy Terasaki A, Matsushita A, Tono K, Yadav RT, Briere TM, Kondow T
9371 - 9374	A density-functional study of the structures and electronic properties of C59Ni and C60Ni clusters Alemany MMG, Dieguez O, Rey C, Gallego LJ
9375 - 9379	Relationship between the geometries, electronic structures, and dopant atom of C35B and C35N Ding CG, Yang JL, Han RS, Wang KL
9380 - 9389	Rationale for reagent reorientation in the activated bimolecular reaction N(D-2)+H-2: Beyond the angular dependent line of center model Larregaray P, Bonnet L, Rayez JC
9390 - 9394	The microwave spectrum of cobalt monoxide: Hyperfine interactions in the X (4)Delta state Namiki KC, Saito S
9395 - 9401	Reaction pathway, energy barrier, and rotational state distribution for Li (2 P-2(J))+H-2 -> LiH (X (1)Sigma(+))+H Chen JJ, Hung YM, Liu DK, Fung HS, Lin KC
9402 - 9407	Multichannel quantum defect calculation of the phase lag in the coherent control of HI Lefebvre-Brion H, Seideman T, Gordon RJ
9408 - 9412	Metastable size distributions of molecular clusters in supersaturated vapors Bauer SH, Zhang YX, Wilcox CF
9413 - 9420	Rotationally resolved photoelectron spectroscopy of hot N-2 formed in the photofragmentation of N2O Rijs AM, Backus EHG, de Lange CA, Janssen MHM, Wang K, McKoy V
9421 - 9429	HF inversion in the 2,5-dihydrofuran center dot center dot center dot HF complex Lopez JC, Blanco S, Lesarri A, Sanz ME, Lorenzo FJ, Alonso JL
9430 - 9440	Ab initio investigation of the vertical and adiabatic excitation spectrum of NO3 Eisfeld W, Morokuma K
9441 - 9452	Classical-limit analysis of the normal-to-local transition by the algebraic effective Hamiltonian approach Sako T, Yamanouchi K, Iachello F
9453 - 9462	Photodissociation of water in the (A)over-tilde band revisited with new potential energy surfaces van Harrevelt R, van Hemert MC
9463 - 9469	IR excitation of ethylene molecules and clusters embedded in He-4 droplets Kunze M, Reuss J, Oomens J, Parker DH
9470 - 9477	Solvent nuclear quantum effects in electron transfer reactions. III. Metal ions in water. Solute size and ligand effects Ando K
9478 - 9488	Multiple quantum coherence in HYSCORE spectra Liesum L, Schweiger A
9489 - 9491	Calculation of mean distances between the randomly distributed particles in the model of points and hard spheres (the method of Voronoi polyhedra) Lavrik NL, Voloshin VP
9492 - 9495	Analysis of the recombination probability of geminate triplet radical ion pairs at single encounter by means of magnetic field effects Lavrik NL
9496 - 9505	Approximate integral equation theory for classical fluids Sarkisov G
9506 - 9511	Theoretical study for partial molar volume of amino acids and polypeptides by the three-dimensional reference interaction site model Harano Y, Imai T, Kovalenko A, Kinoshita M, Hirata F
9512 - 9517	The effect of the cooling rate on the fictive temperature in some model glassy systems Halpern V, Bisquert J
9518 - 9531	Complete ab initio three-body nonadditive potential in Monte Carlo simulations of vapor-liquid equilibria and pure phases of argon Bukowski R, Szalewicz K
9532 - 9538	Chirality induction from chiral molecules to adsorbed monolayers Yoneya M, Yokoyama H
9539 - 9548	Benzene adsorption on Ir{100} studied by low-energy electron diffraction I-V analysis: Evidence for formation of tilted benzyne Johnson K, Sauerhammer B, Titmuss S, King DA
9549 - 9556	A comparative study of dissociative adsorption of NH3, PH3, and AsH3 on Si(001)-(2x1) Miotto R, Srivastava GP, Miwa RH, Ferraz AC
9557 - 9564	Dynamics and steady-state properties of photorefractive poly(N-vinylcarbazole)-based composites sensitized with (2,4,7-trinitro-9-fluorenylidene)malononitrile in a 0-3 wt % range Van Steenwinckel D, Hendrickx E, Persoons A
9565 - 9577	McMillan-Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers Kjellander R, Lyubartsev AP, Marcelja S
9578 - 9584	Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model Kholmurodov KT, Yasuoka K, Zeng XC
9585 - 9592	Capillary condensation of periodic phases in self-assembling systems Babin V, Ciach A, Tasinkevych M
9593 - 9598	Adsorption of a polydisperse soft-sphere fluid in a slit pore Kim SC
9599 - 9607	On the computer simulation of silicate glass surfaces Bakaev VA, Steele WA, Pantano CG
9608 - 9624	Measurement of molecular motion in solids by nuclear magnetic resonance spectroscopy of half-integer quadrupole nuclei Kristensen JH, Farnan I
9625 - 9632	A new crystalline phase of the electroluminescent material tris(8-hydroxyquinoline) aluminum exhibiting blueshifted fluorescence Braun M, Gmeiner J, Tzolov M, Coelle M, Meyer FD, Milius W, Hillebrecht H, Wendland O, von Schutz JU, Brutting W
9633 - 9637	Optical properties of C-60 nanocrystals embedded in a SiO matrix Ohno T, Matsuishi K, Onari S
9638 - 9644	Influence of isotopic substitution on the conformational dynamics of frozen proteins Schlichter J, Friedrich J, Parbel M, Scheer H
9645 - 9656	The segmental dynamics of a polymer electrolyte investigated by coherent quasielastic neutron scattering Carlsson P, Zorn R, Andersson D, Farago B, Howells WS, Borjesson L
9657 - 9662	Anomalous diffusion of water in a hydrogel of sucrose and diepoxide monomers Azurmendi HF, Ramia ME
9663 - 9673	Kinetic Monte Carlo simulation of titin unfolding Makarov DE, Hansma PK, Metiu H
9674 - 9682	End effects of strongly charged polyelectrolytes: A molecular dynamics study Limbach HJ, Holm C
9683 - 9684	The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4 -> H-2+CH3 reaction Bowman JM, Wang DY, Huang XC, Huarte-Larranaga F, Manthe U
9685 - 9685	Surface-rheological measurements on glass forming polymers based on the surface tension driven decay of imprinted corrugation gratings (vol 112, pg 4262, 2000) Hamdorf M, Johannsmann D
9685 - 9685	Triple-point wetting of Ne on solid CO2 (vol 114, pg 1350, 2001) Bruschi L, Paniz E, Mistura G