Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

9531 - 9534	Vibrational spectroscopy on single C-60 molecules: The role of molecular orientation Pascual JI, Gomez-Herrero J, Sanchez-Portal D, Rust HP
9535 - 9538	Efficient characterization of stationary points on potential energy surfaces Deglmann P, Furche F
9539 - 9542	A seven-dimensional quantum study of the H+CH4 reaction Yang MH, Zhang DH, Lee SY
9543 - 9547	An ab initio investigation on aromaticities in semiconductor systems Li SD, Yu HL, Wu HS, Jin ZH
9548 - 9551	Amorphous structures of Cu, Ag, and Au nanoclusters from first principles calculations Oviedo J, Palmer RE
9552 - 9559	Derivation and reflection properties of a transmission-free absorbing potential Manolopoulos DE
9560 - 9566	Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy Cioslowski J, Pernal K, Ziesche P
9567 - 9568	Evaluating shear viscosity: Power dissipated versus entropy produced Holian BL
9569 - 9573	Wave packet dynamics on adaptive moving grids Wyatt RE
9574 - 9579	Determination of bound-free dissociative couplings via classical Fourier coefficients Tannenbaum E, Heller EJ
9580 - 9587	Brillouin-Wigner coupled cluster theory: Fock-space approach Petraco NDK, Horny L, Schaefer HF, Hubac I
9588 - 9604	Control of molecular processes by a sequence of linearly chirped pulses Nagaya K, Teranishi Y, Nakamura H
9605 - 9610	Semiclassical initial value representation for the Boltzmann operator in thermal rate constants Zhao Y, Miller WH
9611 - 9617	Complexity of classical dynamics of molecular systems. I. Methodology Nerukh D, Karvounis G, Glen RC
9618 - 9622	Complexity of classical dynamics of molecular systems. II. Finite statistical complexity of a water-Na+ system Nerukh D, Karvounis G, Glen RC
9623 - 9629	Relativistic correlating basis functions for the Ga-Kr, In-Xe, and Tl-Rn atoms Osanai Y, Noro T, Miyoshi E
9630 - 9645	Density-functional theory of linear and nonlinear time-dependent molecular properties Salek P, Vahtras O, Helgaker T, Agren H
9646 - 9650	Multiple-quantum nuclear magnetic resonance spin dynamics in disordered rigid chains and rings Doronin SI, Fel'dman EB, Lacelle S
9651 - 9662	Rotational spectrum of jet-cooled HfO2 and HfO Lesarri A, Suenram RD, Brugh D
9663 - 9670	Photoionization of the primary photoproducts of A((2)Pi)-excited ClO Flesch R, Plenge J, Kuhl S, Klusmann M, Ruhl E
9671 - 9687	Intermolecular-interaction effects on quantum-phase dynamics of dimer systems interacting with a two-mode squeezed vacuum field Nakano M, Yamaguchi K
9688 - 9694	Time-dependent density functional calculations of fully pi-conjugated zinc oligoporphyrins Yamaguchi Y
9695 - 9702	Ground state and excitation dynamics in Ag doped helium clusters Mella M, Colombo MC, Morosi G
9703 - 9709	Potential curves and spectroscopic properties for the ground state of ClO and for the ground and various excited states of ClO- Kim SJ, Kim YJ, Shin CH, Mhin BJ, Crawford TD
9710 - 9718	Resonances in S(N)2 reactions: Two-mode quantum calculations for Cl-+CH3Br on a coupled-cluster potential energy surface Schmatz S, Botschwina P, Hauschildt J, Schinke R
9719 - 9726	Reaction probabilities and reaction cross sections for three-dimensional He+H-2(+)(v) collisions: A time-dependent quantum mechanical study Maiti B, Kalyanaraman C, Panda AN, Sathyamurthy N
9727 - 9732	Ring structure of the NO dimer radical cation: A possible new assignment of the mysterious IR absorption at 1424 cm(-1) Xie YM, Wang WN, Fan KN, Schaefer HF
9733 - 9739	On the ground states of CaC and ZnC: A multireference Brillouin-Wigner coupled cluster study Kerkines ISK, Pittner J, Carsky P, Mavridis A, Hubac I
9740 - 9749	Negative ion photoelectron spectroscopy of (benzene)(n)(-) (n=53-124) and (toluene)(n)(-) (n=33-139): Solvation energetics of an excess electron in size-selected aromatic hydrocarbon nanoclusters Mitsui M, Nakajima A, Kaya K
9750 - 9757	Pure rotational spectra of the Ar-HN2+ and the Kr-HN2+ ionic complexes Seki K, Sumiyoshi Y, Endo Y
9758 - 9765	Evolution of the electronic properties of small Ni-n(-) (n=1-100) clusters by photoelectron spectroscopy Liu SR, Zhai HJ, Wang LS
9766 - 9776	Rotational spectrum of the weakly bonded C6H6-H2S dimer and comparisons to C6H6-H2O dimer Arunan E, Emilsson T, Gutowsky HS, Fraser GT, de Oliveira G, Dykstra CE
9777 - 9784	Analysis of the 0(g)(-)(P-3(1))-B' (3)Pi(0(u)(-)) system of I-2 by perturbation-facilitated optical-optical double resonance Motohiro S, Nakajima S, Aoyama K, Kagi E, Fujiwara H, Fukushima M, Ishiwata T
9785 - 9792	Three-center versus four-center elimination of haloethene: Internal energies of HCl and HF on photolysis of CF2CHCl at 193 nm determined with time-resolved Fourier-transform spectroscopy Wu CY, Chung CY, Lee YC, Lee YP
9793 - 9805	Nonlinear intensity dependence in the infrared multiphoton excitation and dissociation of methanol pre-excited to different energies Boyarkin OV, Rizzo TR, Rueda D, Quack M, Seyfang G
9806 - 9810	A time-dependent quantum dynamics study of the H-2+CH3 -> H+CH4 reaction Wang DY
9811 - 9817	Investigations into the fragmentation and ionization of highly excited La@C-82 Lassesson A, Mehlig K, Gromov A, Taninaka A, Shinohara H, Campbell EEB
9818 - 9827	ND4+ and NH3D+ dynamics in ammonium persulphate. II. Transition from low-to-high-temperature regime Schmidt T, Schmitt H, Haeberlen U, Olejniczak Z, Lalowicz ZT
9828 - 9837	The binary system triethylamine-water near its critical consolute point: An ultrasonic spectrometry, dynamic light scattering, and shear viscosity study Behrends R, Telgmann T, Kaatze U
9838 - 9843	Car-Parrinello molecular dynamics simulation of the hydrated calcium ion Bako I, Hutter J, Palinkas G
9844 - 9849	Model for viscoelasticity in a binary mixture Harbola U, Das SP
9850 - 9857	Theoretical study of the OH/OD stretching regions of the vibrational spectra of ice Ih Wojcik MJ, Szczeponek K, Ikeda S
9858 - 9861	Adaptive quantum control of DCM fluorescence in the liquid phase Lee SH, Jung KH, Sung JH, Hong KH, Nam CH
9862 - 9866	Protein-trehalose-water structures in trehalose coated carboxy-myoglobin Cottone G, Ciccotti G, Cordone L
9867 - 9875	Density dependence of the optical Kerr effect of linear molecules Kiyohara K, Kimura Y, Takebayashi Y, Hirota N, Ohta K
9876 - 9879	Turbidity of the liquid-liquid mixture perfluoroheptane and 2,2,4-trimethylpentane near the critical point Braganza CI, Jacobs DT
9880 - 9886	Inhomogeneous structure of penetrable spheres with bounded interactions Kim SC, Suh SH
9887 - 9896	Metal nanoparticles as models of single crystal surfaces and supported catalysts: Density functional study of size effects for CO/Pd(111) Yudanov IV, Sahnoun R, Neyman KM, Rosch N
9897 - 9902	The gradual transition from mass-controlled to diffusion-controlled kinetics during melt polymerization Wang J, Johari GP
9903 - 9919	Real-space mean-field approach to polymeric ternary systems Komura S, Kodama H, Tamura K
9920 - 9926	Phase behavior of ternary blends of diblock copolymer with homopolymer blends Huh J, Jo WH
9927 - 9933	Changes in flexibility upon binding: Application of the self-consistent pair contact probability method to protein-protein interactions Canino LS, Shen TY, McCammon JA
9934 - 9941	Finite size effects in pressure measurements for Monte Carlo simulations of lattice polymer models Stukan MR, Ivanov VA, Muller M, Paul W, Binder K
9942 - 9946	Monte Carlo calculation of second and third virial coefficients of linear and star polymers on lattice Shida K, Ohno K, Kawazoe Y, Nakamura Y
9947 - 9958	Phase behavior of mixtures of colloidal platelets and nonadsorbing polymers Zhang SD, Reynolds PA, van Duijneveldt JS
9959 - 9960	Relaxation of a tethered polymer using dynamic mean field calculation Furuichi K, Nonomura C, Kawakatsu T, Doi M
9961 - 9961	Absorption and emission in pinwheel aggregates of oligo-phenylene vinylene molecules (vol 114, pg 5376, 2001) Spano FC