Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.2 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (65 articles)

609 - 611	Stepwise addition reactions in ammonia synthesis: A first principles study Zhang CJ, Liu ZP, Hu P
612 - 616	Femtochemistry of mass-selected negative-ion clusters of dioxygen: Charge-transfer and solvation dynamics Paik DH, Bernhardt TM, Kim NJ, Zewail AH
617 - 620	Solute-solute potential of mean force in supercritical solvents: A nonlocal integral equation study Egorov SA, Rabani E
621 - 629	Multireference Moller-Plesset method with a complete active space configuration interaction reference function Choe YK, Nakao Y, Hirao K
630 - 635	Enhanced sampling in simulations of dense systems: The phase behavior of collapsed polymer globules Paul W, Muller M
636 - 642	A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations Filippone F, Meloni S, Parrinello M
643 - 651	The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt Kowalski K, Piecuch P
652 - 662	Displaced-points path integral method for including quantum effects in the Monte Carlo evaluation of free energies Mielke SL, Truhlar DG
663 - 670	Encounter-controlled reactions between interacting walkers in finite lattices: Complex kinetics and many-body effects Nicolis C, Kozak JJ, Nicolis G
671 - 679	An analysis and implementation of a general coupled cluster approach to excitation energies with application to the B-2 molecule Hald K, Jorgensen P, Olsen J, Jaszunski M
680 - 690	Variational nonequilibrium thermodynamics of reaction-diffusion systems. III. Progress variables and dissipation of energy and information Gaveau B, Moreau M, Toth J
691 - 698	Normal mode analysis of large systems with icosahedral symmetry: Application to (Dialanine)(60) in full and reduced basis set implementations van Vlijmen HWT, Karplus M
699 - 707	Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules Tretiak S, Saxena A, Martin RL, Bishop AR
708 - 717	Preparation of bulk melt chain configurations of polycyclic polymers Neyertz S, Brown D
718 - 725	Scalar relativistic effects on energies of molecules containing atoms from hydrogen through argon Kedziora GS, Pople JA, Ratner MA, Redfern PC, Curtiss LA
726 - 730	Calculated paramagnetic resonance parameters of the luminescent Re6S8Cl63- cluster ion Alvarez-Thon L, Hernandez-Acevedo L, Arratia-Perez R
731 - 738	Time-dependent quantum wave packet study of the C+CH reaction Tang BY, Chen MD, Han KL, Zhang JZH
739 - 742	Anisotropy quantum beat in two-photon ionization of coherently excited hyperfine states of Na Lee YJ, Cho SH, Kim NJ, Kim SK
743 - 751	Mass analyzed threshold ionization of deuterium substituted isotopomers of aniline and p-fluoroaniline: Isotope effect and site-specific electronic transition Lin JL, Tzeng WB
752 - 760	The triplet He-2(*) Rydberg states and their interaction potentials with ground state He atoms Eloranta J, Apkarian VA
761 - 765	A critical note on extrapolated helium pair potentials Klopper W
766 - 770	Laser excitation and dispersed fluorescence spectra of the HCBr (A)over-tilde-(X)over-tilde vibronic transition Tsai TC, Chen CW, Chang BC
771 - 777	The molecular structures and nature of interactions in CH3+Arn(n=1-8) complexes Gora RW, Roszak S, Leszczynski J
778 - 783	Energetics and electronic structure of carbon doped aluminum clusters Rao BK, Jena P
784 - 791	Spectroscopy and dynamics of I-2(B)-Ne Burroughs A, Kerenskaya G, Heaven MC
792 - 799	The electronic structure and properties of group 8 oxides MO4, where M=Ru, Os, and Element 108, Hs Pershina V, Bastug T, Fricke B, Varga S
800 - 809	Experimental and theoretical study of Lambda-doublet resolved rotationally inelastic collisions of highly rotationally excited CH(A (2)Delta,v=0) with Ar Nizamov B, Dagdigian PJ, Tzeng YR, Alexander MH
810 - 816	Binary N-octanol-sulfur hexafluoride nucleation Anisimov MP, Hopke PK, Shaimordanov IN, Shandakov SD, Magnusson LE
817 - 823	Hyperfine structure and the Stark effect in the electronic spectrum of the SiCH radical with implications for microwave spectroscopy and radioastronomy Smith TC, Clouthier DJ, Steimle TC
824 - 832	The Cl-35(-)-H-2 and Cl-35(-)-D-2 anion complexes: Infrared spectra and radial intermolecular potentials Wild DA, Weiser PS, Bieske EJ, Zehnacker A
833 - 841	Hydrogen bonding in benzonitrile-water complexes Kryachko ES, Nguyen MT
842 - 848	Crossed molecular beam studies of the O(D-1)+NH3 reaction Shu J, Lin JJ, Wang CC, Lee YT, Yang XM
849 - 857	Multiple pathway dynamics of the O(D-1)+C2H6 reaction: A crossed beam study Shu J, Lin JJ, Lee YT, Yang XM
858 - 863	Abnormal behavior in the three-photon resonance enhanced multiphoton ionization spectroscopy of CO E (1)Pi <- X (1)Sigma(+)(0,0) Chen XL, Sha GH, Jiang B, Xie JC, Zhang CH
864 - 869	Nuclear motion driven by the Renner-Teller effect as observed in the resonant Auger decay to the (X)over-tilde(2)Pi electronic ground state of N2O+ Miron C, Simon M, Morin P, Nanbu S, Kosugi N, Sorensen SL, de Brito AN, Piancastelli MN, Bjorneholm O, Feifel R, Bassler M, Svensson S
870 - 877	Rotational spectra of SiCN, SiNC, and the SiCnH (n=2, 4-6) radicals McCarthy MC, Apponi AJ, Gottlieb CA, Thaddeus P
878 - 884	An experimental measure of anharmonicity in the bending of DCO+ Foltynowicz RJ, Robinson JD, Grant ER
885 - 898	Theoretical study of the electronic states of small cationic niobium clusters, Nb-n(+) (n=3-5) Majumdar D, Balasubramanian K
899 - 911	Differentiation of the ground vibrational and global minimum structures in the Ar : HBr intermolecular complex Castillo-Chara J, Lucchese RR, Bevan JW
912 - 924	Solvent effects on ground and excited electronic state structures of p-nitroaniline Moran AM, Kelley AM
925 - 929	Ornstein-Zernike equation for convex molecule fluids Boublik T
930 - 932	Measurement of the energy decay rate for the first vibrational-excited-state in solid parahydrogen Li JZ, Suzuki M, Katsuragawa M, Hakuta K
933 - 950	Isothermal binodal curves near a critical endpoint Kim YC, Fisher ME, Barbosa MC
951 - 953	Direct observation of power-law behavior in the asymptotic relaxation to equilibrium of a reversible bimolecular reaction Pines D, Pines E
954 - 962	Analysis of radiation-induced small Cu particle cluster formation in aqueous CuCl2 Jayanetti S, Mayanovic RA, Anderson AJ, Bassett WA, Chou IM
963 - 969	Continuous phase transition in polydisperse hard-sphere mixture Blaak R, Cuesta JA
970 - 976	Fluids of hard-spheres with two sticky thin layers, liquid-liquid transition for pure substances Meng SH, Cai J, Liu HL, Hu Y
977 - 982	Temperature dependence of hydrophobic hydration and entropy convergence in an isotropic model of water Garde S, Ashbaugh HS
983 - 993	On the ground state structure of monolayers on the (100) face of fcc crystals Patrykiejew A, Sokolowski S, Binder K
994 - 997	The translational and rotational drag on Langmuir monolayer domains Steffen P, Heinig P, Wurlitzer S, Khattari Z, Fischer TM
998 - 1008	Optical properties of gold and silver nanoclusters investigated by liquid chromatography Wilcoxon JP, Martin JE, Provencio P
1009 - 1014	Scattering of hyperthermal molecular ions from Pt(111) Herrmann G, Okada M, Murata Y
1015 - 1019	Electrical conductivities of methane, benzene, and polybutene shock compressed to 60 GPa (600 kbar) Nellis WJ, Hamilton DC, Mitchell AC
1020 - 1027	Orientation of chiral heptahelicene C30H18 on copper surfaces: An x-ray photoelectron diffraction study Fasel R, Cossy A, Ernst KH, Baumberger F, Greber T, Osterwalder J
1028 - 1040	"On"/"off" fluorescence intermittency of single semiconductor quantum dots Kuno M, Fromm DP, Hamann HF, Gallagher A, Nesbitt DJ
1041 - 1051	Near-critical two-dimensional smectic-C to solid-like phase transition in azobenzene-derivative Langmuir monolayers Tabe Y, Yokoyama H
1052 - 1059	Size-dependency of polarizabilities of fractal- and nonfractal-structured oligomers modeled after dendron parts in Cayley-tree-type dendrimers Nakano M, Fujita H, Takahata M, Yamaguchi K
1060 - 1065	Rotation of chromophores in amorphous polymer hosts of arbitrary disorder Binks DJ, West DP
1066 - 1072	Counterion and polyion dynamics in highly asymmetrical electrolyte solutions Jardat M, Cartailler T, Turq P
1073 - 1085	Sphere to cylinder transition in a single phase microemulsion system: A theoretical investigation Blokhuis EM, Sager WFC
1086 - 1094	Determination of structural parameters characterizing thin films by optical methods: A comparison between scanning angle reflectometry and optical waveguide lightmode spectroscopy Picart C, Ladam G, Senger B, Voegel JC, Schaaf P, Cuisinier FJG, Gergely C
1095 - 1099	Scattering patterns of self-assembled gyroid cubic phases in amphiphilic systems Garstecki P, Holyst R
1100 - 1104	Monte Carlo simulations of free chains in end-linked polymer networks Gilra N, Panagiotopoulos AZ, Cohen C
1105 - 1114	Effective-medium Gaussian-chain theory for semidilute polymer solutions confined to a slit Teraoka I, Wang YM
1115 - 1117	A mixed order density functional theory for adhesive hard sphere fluid confined between two hard walls Zhou SQ, Sun XM, Chen H, Li HR