Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (66 articles)

7245 - 7248	Collision complexes in dissociative single electron transfer between Ne2+ and N-2 Harper SM, Hu SWP, Price SD
7249 - 7251	Inelastic tunneling spectroscopy using scanning tunneling microscopy on trans-2-butene molecule: Spectroscopy and mapping of vibrational feature Sainoo Y, Kim Y, Komeda T, Kawai M
7252 - 7261	Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets Watson MA, Handy NC, Cohen AJ, Helgaker T
7262 - 7273	An empirical charge transfer potential with correct dissociation limits Valone SM, Atlas SR
7274 - 7280	Assessment and validation of a screened Coulomb hybrid density functional Heyd J, Scuseria GE
7281 - 7289	Dynamically weighted multiconfiguration self-consistent field: Multistate calculations for F+H2O -> HF+OH reaction paths Deskevich MP, Nesbitt DJ, Werner HJ
7290 - 7297	Atomic and molecular intracules for excited states Besley NA, Gill PMW
7298 - 7306	Real versus artifactual symmetry-breaking effects in Hartree-Fock, density-functional, and coupled-cluster methods Russ NJ, Crawford TD, Tschumper GS
7307 - 7313	Relation between different variants of the generalized Douglas-Kroll transformation through sixth order van Wullen C
7314 - 7321	Mixing and reaction fronts in laminar flows Leconte M, Martin J, Rakotomalala N, Salin D, Yortsos YC
7322 - 7329	Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism Lischka H, Dallos M, Szalay PG, Yarkony DR, Shepard R
7330 - 7339	Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. II. Minima on the crossing seam: Formaldehyde and the photodimerization of ethylene Dallos M, Lischka H, Shepard R, Yarkony DR, Szalay PG
7340 - 7349	Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. III. Systems of noninteracting electrons Kutzelnigg W, Mukherjee D
7350 - 7368	Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. IV. Perturbative analysis Kutzelnigg W, Mukherjee D
7369 - 7373	Structural properties of reciprocal form factor in neutral atoms and singly charged ions Romera E, Angulo JC
7374 - 7382	A local approach to delocalized electronic systems: Semilocal evaluation of the cohesive energies of tight-binding Hamiltonians Malrieu JP, Robert V
7383 - 7390	Globally uniform semiclassical surface-hopping wave function for nonadiabatic scattering Herman MF, El Akramine O, Moody MP
7391 - 7399	Dissociative recombination of NH4+ and ND4+ ions: Storage ring experiments and ab initio molecular dynamics Ojekull J, Andersson PU, Nagard MB, Pettersson JBC, Derkatch AM, Neau A, Rosen S, Thomas R, Larsson M, Osterdahl F, Semaniak J, Danared H, Kallberg A, af Ugglas M, Markovic N
7400 - 7409	Picosecond IR-UV pump-probe spectroscopic study of the dynamics of the vibrational relaxation of jet-cooled phenol. I. Intramolecular vibrational energy redistribution of the OH and CH stretching vibrations of bare phenol Yamada Y, Ebata T, Kayano M, Mikami N
7410 - 7417	Picosecond IR-UV pump-probe spectroscopic study of the dynamics of the vibrational relaxation of jet-cooled phenol. II. Intracluster vibrational energy redistribution of the OH stretching vibration of hydrogen-bonded clusters Kayano M, Ebata T, Yamada Y, Mikami N
7418 - 7425	Spectroscopic properties and potential energy curves of low-lying electronic states of RuC Guo R, Balasubramanian K
7426 - 7437	Semiclassical dynamics of the van der Waals states in O-3(X(1)A(1)) Joyeux M, Schinke R, Grebenshchikov SY
7438 - 7445	Alignment of molecules in pulsed resonant laser fields Granucci G, Persico M, Van Leuven P
7446 - 7455	Radiation damage of biosystems mediated by secondary electrons: Resonant precursors for uracil molecules Gianturco FA, Lucchese RR
7456 - 7463	Potential energy surfaces for HenNe+ ions: ab initio and diatomics-in-molecule results Seong J, Rohrbacher A, Li ZR, Janda KC, Tao FM, Spiegelman F, Halberstadt N
7464 - 7469	A computational study of microsolvation effect on ethylene glycol by density functional method Chaudhari A, Lee SL
7470 - 7475	Ground and valence excited states of BI: A MR-CISD+Q study Yang XZ, Lin MR, Zhang BZ
7476 - 7482	Ab initio study of the BiSe and BiTe electronic spectra: What happens with X-2-X-1 emission in the heavier Bi chalcogenides? Lingott RM, Liebermann HP, Alekseyev AB, Buenker RJ
7483 - 7489	State-to-state rotational relaxation rate constants for CO plus Ne from IR-IR double-resonance experiments: Comparing theory to experiment Hostutler DA, Smith TC, Hager GD, McBane GC, Heaven MC
7490 - 7496	A multimode analysis of the gas-phase photoelectron spectra in oligoacenes Malagoli M, Coropceanu V, da Silva DA, Bredas JL
7497 - 7504	Resonantly enhanced two photon ionization and zero kinetic energy spectroscopy of jet-cooled 4-aminopyridine He YG, Wu CY, Kong W
7505 - 7511	Variationally stable calculations for molecular systems: Polarizabilities and two-photon ionization cross section for the hydrogen molecule Machado AM, Masili M
7512 - 7519	Spectroscopic investigation of nonbonding interactions of group-14 atoms with rare gases: The SnAr van der Waals complex Tao C, Dagdigian PJ
7520 - 7525	Electronic and infrared absorption spectra of linear and cyclic C-6(+) in a neon matrix Fulara J, Riaplov E, Batalov A, Shnitko I, Maier JP
7526 - 7531	Transport of matter and energy in a mesoscopic thermo-hydrodynamic approach Madureira JR
7532 - 7556	Solvent reorganization energy of electron-transfer reactions in polar solvents Matyushov DV
7557 - 7563	New approach to the first-order phase transition of Lennard-Jones fluids Muguruma C, Okamoto Y, Mikami M
7564 - 7575	An efficient molecular dynamics simulation method for calculating the diffusion-influenced reaction rates Lee JN, Yang SG, Kim J, Lee S
7576 - 7589	Dynamics and the breaking of a driven cage: I-2 in solid Ar Bihary Z, Zadoyan R, Karavitis M, Apkarian VA
7590 - 7601	Mode-coupling study on the dynamics of hydrophobic hydration Yamaguchi T, Matsuoka T, Koda S
7602 - 7606	Magnetic resonance imaging of spin-polarization transfer of polarized Xe atoms dissolving into ethanol Ishikawa K, Imai H, Takagi Y
7607 - 7615	Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: Calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force Rustad JR, Rosso KM, Felmy AR
7616 - 7635	Electron correlation effects in the adiabatic charge transfer reactions at the metal/polar liquid interface Kuznetsov AM, Medvedev IG, Sokolov VV
7636 - 7642	A cell model of a liquid droplet Barrett JC
7643 - 7658	Temperature dependent exciton emission from herringbone aggregates of conjugated oligomers Spano FC
7659 - 7672	Inverse isotope effects and electron-phonon coupling in the positively charged deutero- and fluoroacenes Kato T, Yamabe T
7673 - 7680	Adsorption of O-2 and oxidation of CO at Au nanoparticles supported by TiO2(110) Molina LM, Rasmussen MD, Hammer B
7681 - 7688	Molecular-dynamics simulation of the effect of ions on a liquid-liquid interface for a partially miscible mixture Wardle KE, Carlson E, Henderson D, Rowley RL
7689 - 7695	Clustering and percolation in lithium borate glasses Vegiri A, Varsamis CPE
7696 - 7707	Theoretical studies of hyperthermal O(P-3) collisions with hydrocarbon self-assembled monolayers Troya D, Schatz GC
7708 - 7719	Pattern formation and fluctuation-induced transitions in protein crystallization Nicolis G, Basios V, Nicolis C
7720 - 7724	Determining the adsorptive and catalytic properties of strained metal surfaces using adsorption-induced stress Pala RGS, Liu F
7725 - 7732	Spectroscopic consideration of the surface potential built across phthalocyanine thin films on a metal electrode Manaka T, Li CQ, Cheng XM, Iwamoto M
7733 - 7737	Electronic transport in Z-junction carbon nanotubes Zhang JT, Shi QW, Yang JL
7738 - 7740	Electronic states of linear Au clusters supported on metal surfaces: Why are they like those of a particle in a box? Mills G, Wang B, Ho W, Metiu H
7741 - 7749	Atomic and electronic structure of unreduced and reduced CeO2 surfaces: A first-principles study Yang ZX, Woo TK, Baudin M, Hermansson K
7750 - 7754	Infrared spectroscopy of physisorbed and chemisorbed O-2 on Pt(111) Gustafsson K, Andersson S
7755 - 7760	Rate-promoting vibrations and coupled hydrogen-electron transfer reactions in the condensed phase: A model for enzymatic catalysis Mincer JS, Schwartz SD
7761 - 7771	Tunable effective interactions between dendritic macromolecules Gotze IO, Harreis HM, Likos CN
7772 - 7778	Computer simulations of localized small polarons in amorphous polyethylene Cubero D, Quirke N
7779 - 7783	Microscopic calculation of the energetics of charged states in amorphous polyethylene Eilmes A, Munn RW
7784 - 7791	Polymer dynamics in repton model at large fields Kolomeisky AB, Drzewinski A
7792 - 7800	Molecular dynamics simulation study on the phase behavior of the Gay-Berne model with a terminal dipole and a flexible tail Fukunaga H, Takimoto J, Doi M
7801 - 7810	Scaling behavior of nonisothermal phase separation Rullmann M, Alig I
7811 - 7819	Electron transfer in proteins: Nonorthogonal projections onto donor-acceptor subspace of the Hilbert space de Andrade PCP, Freire JA
7820 - 7820	A doubly nudged elastic band method for finding transition states (vol 120, pg 2082, 2004) Trygubenko SA, Wales DJ