Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.22 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

9973 - 9976	The naphthalene-benzene anion: Anion complex of aromatic hydrocarbons with the smallest electron affinity Song JK, Lee NK, Han SY, Kim SK
9977 - 9982	An extended Heisenberg model for conjugated hydrocarbons Wu J, Schmalz TG, Klein DJ
9983 - 9990	Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties Hald K, Halkier A, Jorgensen P, Coriani S
9991 - 10000	The Jahn-Teller effect in the lower electronic states of benzene cation. I. Calculation of linear parameters for the e(2g) modes Johnson PM
10001 - 10007	The Jahn-Teller effect in the lower electronic states of benzene cation. II. Vibrational analysis and coupling constants of the (B)over-tilde E-2(2g) state Johnson PM
10008 - 10018	An L-shaped equilibrium geometry for germanium dicarbide (GeC2)? Interesting effects of zero-point vibration, scalar relativity, and core-valence correlation Sari L, Peterson KA, Yamaguchi Y, Schaefer HF
10019 - 10025	Vibrational predissociation of NeBr2 (X, v=1) using an ab initio potential energy surface Prosmiti R, Cunha C, Buchachenko AA, Delgado-Barrio G, Villarreal P
10026 - 10038	Relativistic effects on interaction-induced electric properties of weakly interacting systems: The HF...AuH dimer Avramopoulos A, Papadopoulos MG, Sadlej AJ
10039 - 10056	Thermochemistry of small cationic iron-sulfur clusters Koszinowski K, Schroder D, Schwarz H, Liyanage R, Armentrout PB
10057 - 10060	Vibrational structures of predissociating methylamines (CH3NH2 and CH3ND2) in (A)over-tilde states: Free internal rotation of CH3 with respect to NH2 Baek SJ, Choi KW, Choi YS, Kim SK
10061 - 10066	A revised experimental absolute magnetic shielding scale for oxygen Wasylishen RE, Bryce DL
10067 - 10072	Accuracy of the centrifugal sudden approximation in the H+H2O reaction and accurate integral cross sections for the H+H2O -> H-2+OH abstraction reaction Zhang DH, Yang MH, Lee SY
10073 - 10080	Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X = C and Sn) and effective (X = C and Si) dipole moment surfaces He SG, Liu AW, Lin H, Hu SM, Zheng JJ, Hao LY, Zhu QS
10081 - 10087	Practical implementation of the instanton theory. II. Decay of metastable state through tunneling Mil'nikov GV, Nakamura H
10088 - 10096	Catching the collision complex through a femtosecond coherently controlled pump/probe process Gregoire G, Kang H, Dimicoli I, Dedonder-Lardeux C, Martrenchard S, Jouvet C
10097 - 10103	Dynamics of OH formation in the dissociation of acrylic acid in its (n,pi()) and (pi,pi()) transitions excited at 248 and 193 nm Upadhyaya HP, Kumar A, Naik PD, Sapre AV, Mittal JP
10104 - 10108	A new model of N2O quantum yield in the UV photolysis of O-3/O-2/N-2 mixtures: Contributions of electronically excited O-3 and O-3 center dot N-2 Prasad SS
10109 - 10120	Experimental and theoretical study of intramultiplet transitions in collisions of C(P-3) and Si(P-3) with He Le Picard SD, Honvault P, Bussery-Honvault B, Canosa A, Laube S, Launay JM, Rowe B, Chastaing D, Sims IR
10121 - 10124	Diffuse interface analysis of crystal nucleation in hard-sphere liquid Granasy L, Pusztai T
10125 - 10132	Effects of anharmonicity and electronic coupling on photoinduced electron transfer in mixed valence compounds Lockwood DM, Ratner MA, Kosloff R
10133 - 10138	Rotation of O-2 molecules in solid D-2 and HD: An electron spin resonance study Kumada T
10139 - 10150	A time dependent density functional treatment of superfluid dynamics: Equilibration of the electron bubble in superfluid He-4 Eloranta J, Apkarian VA
10151 - 10155	Specific heat anomaly at the glass transition Odagaki T, Yoshidome T, Tao T, Yoshimori A
10156 - 10164	Structures of hard-sphere fluids from a modified fundamental-measure theory Yu YX, Wu JZ
10165 - 10172	Monte Carlo simulation for the hard-core two-Yukawa fluids and test of the two-Yukawa equation of state Lin YZ, Li YG, Lu JF, Wu W
10173 - 10183	Molecular conformation and methyl proton delocalization in triiodomesitylene: A combined density functional theory and single-crystal neutron diffraction study Boudjada A, Meinnel JJ, Boucekkine A, Hernandez OJ, Fernandez-Diaz MT
10184 - 10192	Direct determination of kinetic fragility indices of glassforming liquids by differential scanning calorimetry: Kinetic versus thermodynamic fragilities Wang LM, Velikov V, Angell CA
10193 - 10206	First principles electrochemistry: Electrons and protons reacting as independent ions Llano J, Eriksson LA
10207 - 10214	Orientational structures of a phase-separating system under oscillatory particles Zhu YJ, Ma YQ
10215 - 10222	Adsorption configurations and thermal chemistry of acetylene on the Ge(100) surface Kim A, Maeng JY, Lee JY, Kim S
10223 - 10232	The diffusion-spin relaxation time distribution function as an experimental probe to characterize fluid mixtures in porous media Hurlimann MD, Venkataramanan L, Flaum C
10233 - 10238	Complex hopping dynamics in the deuteron conductors K3D(SO4)(2) and Rb3D(SO4)(2) Qi F, Winterich M, Titze A, Bohmer R
10239 - 10243	Picosecond structural dynamics in photoexcited Si probed by time-resolved x-ray diffraction Kishimura H, Yazaki A, Kawano H, Hironaka Y, Nakamura KG, Kondo K
10244 - 10257	Modeling the NO+H-2 reaction on a Pt field emitter tip: Mean-field analysis and Monte Carlo simulations De Decker Y, Baras F, Kruse N, Nicolis G
10258 - 10268	Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces Bryk T, Haymet ADJ
10269 - 10273	Nucleation temperature of elements Jiang Q, Zhou XH, Zhao M
10274 - 10282	Coupling of framework modes and adsorbate vibrations for CO2 molecularly adsorbed on alkali ZSM-5 zeolites: Mid- and far-infrared spectroscopy and ab initio modeling Garrone E, Bonelli B, Lamberti C, Civalleri B, Rocchia M, Roy P, Arean CO
10283 - 10290	Effects of chemical and physical modifications on the electronic transport properties of molecular junctions Luo Y, Wang CK, Fu Y
10291 - 10302	Flow-small angle neutron scattering measurements of colloidal dispersion microstructure evolution through the shear thickening transition Maranzano BJ, Wagner NJ
10303 - 10310	Molecular dynamics simulation of heterogeneous nucleation at a structureless solid surface Toxvaerd S
10311 - 10314	Confined liquid: Simultaneous observation of a molecularly layered structure and hydrodynamic slip Sun GX, Bonaccurso E, Franz V, Butt HJ
10315 - 10320	Theory of T junctions and symmetric tilt grain boundaries in pure and mixed polymer systems Duque D, Katsov K, Schick M
10321 - 10328	Influence of the hydrophobic face width on the degree of association of coiled-coil proteins Magana S, Rubio AM, Rey A
10329 - 10338	Computer simulation of copolymer phase behavior Schultz AJ, Hall CK, Genzer J
10339 - 10349	Force dependent transition rates in chemical kinetics models for motor proteins Lattanzi G, Maritan A
10350 - 10359	A molecular-dynamics simulation study of dielectric relaxation in a 1,4-polybutadiene melt Smith GD, Borodin O, Paul W
10360 - 10369	Lattice polymers with hydrogen bondlike interactions Buzano C, Pretti M
10370 - 10379	A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model McBride C, Vega C
10380 - 10384	Dielectric functions of the double layer polarization theory of a charged colloidal suspension Lu CYD
10385 - 10397	Density functional theory for inhomogeneous polymer systems. I. Numerical methods Frischknecht AL, Weinhold JD, Salinger AG, Curro JG, Frink LJD, McCoy JD
10398 - 10411	Density functional theory for inhomogeneous polymer systems. II. Application to block copolymer thin films Frischknecht AL, Curro JG, Frink LJD
10412 - 10424	Phase behavior of symmetric rod-plate mixtures revisited: Biaxiality versus demixing Varga S, Galindo A, Jackson G
10425 - 10425	Stereodynamics and rovibrational effect for H+CH4(v,j,K,n)-> H-2+CH3 reaction (vol 116, pg 6497 , 2002) Wang ML, Zhang JZH
10426 - 10426	Generalized semirigid vibrating rotor target model for atom-poly reaction: Inclusion of umbrella mode for H+CH4 reaction (vol 117, pg 3081, 2002) Wang ML, Zhang JZH
10427 - 10427	Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions (vol 116, pg 5424, 2002) Jasper AW, Stechmann SN, Truhlar DG
10428 - 10428	Fourth-order quantum master equation and its Markovian bath limit (vol 116, pg 2705, 2002) Jang SJ, Cao JS, Silbey RJ