Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (36 articles)

3081 - 3088	Influence of hyperpolarizabilities on nonlinear Kerr effect relaxation responses Dejardin JL, Dejardin PM, Kalmykov YP
3089 - 3095	Two-photon fluorescence: Resonance energy transfer Allcock P, Andrews DL
3096 - 3113	Theoretical exploration of femtosecond multi-state nuclear dynamics of small clusters Hartmann M, Pittner J, Bonacic-Koutecky V, Heidenreich A, Jortner J
3114 - 3118	Competitive diffusion into two sinks with a finite surface reaction coefficient Zoia G, Strieder W
3119 - 3126	Femtosecond study of photo-induced electron dynamics in Agl and core/shell structured Agl/Ag2S and AgBr/Ag2S colloidal nanoparticles Brelle MC, Zhang JZ
3127 - 3133	State-to-state differential cross sections for rotationally inelastic collisions of NO((2)Pi(1/2),j <= 2.5) with CO((1)Sigma(+)) and O-2((3)Sigma(-)(g)) at a kinetic energy of 442cm(-1) Bacon JA, Giese CF, Gentry WR
3134 - 3141	Hexapole-selected supersonic beams of reactive radicals: CF3, SiF3, SH, CH, and C2H Weibel MA, Hain TD, Curtiss TJ
3142 - 3153	Using quantum rotational polarization moments to describe the stereodynamics of the H+D-2(v=0,j=0)-> HD(v ',j ')+D reaction de Miranda MP, Clary DC, Castillo JF, Manolopoulos DE
3154 - 3167	Vibrational state control of bimolecular reactions Kreher C, Rinnenthal JL, Gericke KH
3168 - 3177	An analytical representation of the ground potential energy surface ((2)A ') of the H+Cl-2-HCl+Cl and Cl+HCl -> HCl+Cl reactions, based on ab initio calculations Gonzalez M, Hijazo J, Novoa JJ, Sayos R
3178 - 3186	Photodissociation studies on nitrosyl bromide: I. Photofragment spectroscopy and electronic structure Loock HP, Qian CXW
3187 - 3198	HCO (N,K-a,K-c,J) distributions from near-threshold photolysis of H2CO (J, K-a, K-c) Terentis AC, Waugh SE, Metha GF, Kable SH
3199 - 3204	Dangers of counterpoise corrected hypersurfaces. Advantages of basis set superposition improvement Liedl KR
3205 - 3212	A comparative study of anharmonicity and matrix effects on the complexes XH : NH3, X=F, CI, and Br Del Bene JE, Jordan MJT
3213 - 3217	C-24: Ring or fullerene? Jensen F, Koch H
3218 - 3221	Quantum chemical study of simple positronic systems using explicitly correlated Gaussian functions - PsH and PsLi(+) Strasburger K, Chojnacki H
3222 - 3225	Theoretical calculation of hydrogen molecule in silicon Nakamura KG, Ishioka K, Kitajima M, Endou A, Kubo M, Miyamoto A
3226 - 3234	An adaptive numerical integrator for molecular integrals Krack M, Koster AM
3235 - 3242	Ab initio study of the van der Waals interaction of NH(X-3 Sigma(-)) with Ar(S-1) Kendall RA, Chalasinski G, Klos J, Bukowski R, Severson MW, Szczesniak MM, Cybulski SM
3243 - 3248	Comparative studies of the lowest singlet states of (O-2)(2) including ab initio calculations of the four excited states dissociating into O-2((1)triangle g)+O-2((1)triangle g) Bussery-Honvault B, Veyret V
3249 - 3255	Phase equilibria of a nematic and smectic-A mixture Chiu HW, Kyu T
3256 - 3263	Unstable modes in ionic melts Ribeiro MCC, Madden PA
3264 - 3276	Molecular scale precursor of the liquid-liquid phase transition of water Shiratani E, Sasai M
3277 - 3285	Generalized molecular mechanics including quantum electronic structure variation of polar solvents. I. Theoretical formulation via a truncated adiabatic basis set description Bursulaya BD, Kim HJ
3286 - 3295	Generalized molecular mechanics including quantum electronic structure variation of polar solvents. II. A molecular dynamics simulation study of water Bursulaya BD, Jeon JG, Zichi DA, Kim HJ
3296 - 3303	New basis set superposition error free ab initio MO-VB interaction potential: Molecular-dynamics simulation of water at critical and supercritical conditions Famulari A, Specchio R, Sironi M, Raimondi M
3304 - 3309	Breathing shell model in molecular dynamics simulation: Application to MgO and CaO Matsui M
3310 - 3312	The size of a polymer chain in an imperfect array of obstacles: Monte Carlo results Slater GW, Nixon GI
3313 - 3320	Analysis of the x-ray absorption spectra of linear saturated hydrocarbons using the X alpha scattered-wave method Vaterlein P, Fink R, Umbach E, Wurth W
3321 - 3326	Density and index of refraction of water ice films vapor deposited at low temperatures Westley MS, Baratta GA, Baragiola RA
3327 - 3331	Absence of annealing effect in the vibrational density of states in a glassforming polymer Zorn R, Frick B
3332 - 3341	Adsorption of potassium and oxygen on graphite: A theoretical study Lamoen D, Persson BNJ
3342 - 3352	The desorption of molecular hydrogen from Si(100)-2x1 and Si(111)-7x7 surfaces at low coverages Flowers MC, Jonathan NBH, Morris A, Wright S
3353 - 3359	Abstraction of D adsorbed on Pt(111) surfaces with gaseous H atoms Wehner S, Kuppers J
3360 - 3372	Dynamics of sodium ions in NaClO4 complexed in poly(propylene-oxide): A Na-23 nuclear magnetic resonance study Chung SH, Jeffrey KR, Stevens JR
3373 - 3374	On the calculation of thermodynamic properties of electrolyte solutions from Kirkwood-Buff theory Behera R