Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.7 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

2853 - 2856	Direct observation of nonadiabatic transitions in Na plus rare-gas differential optical collisions Grosser J, Hoffmann O, Wischeler FS, Rebentrost F
2857 - 2860	Crossed beam reaction of the cyano radical, CN(X (2)Sigma(+)), with methylacetylene, CH3CCH (X(1)A(1)): Observation of cyanopropyne, CH3CCCN (X(1)A(1)), and cyanoallene, H2CCCHCN (X(1)A') Huang LCL, Balucani N, Lee YT, Kaiser RI, Osamura Y
2861 - 2864	Giant enhancement of electron-induced dissociation of chlorofluorocarbons coadsorbed with water or ammonia ices: Implications for atmospheric ozone depletion Lu QB, Madey TE
2865 - 2868	Predicting intense field laser ionization probabilities: The application to C2Hn species Prall BS, DeWitt MJ, Levis RJ
2869 - 2877	Extension of path integral quantum transition state theory to the case of nonadiabatic activated dynamics Schwieters CD, Voth GA
2878 - 2888	Frequency-dependent polarizabilities, hyperpolarizabilities, and excitation energies from time-dependent density-functional theory based on the quasienergy derivative method Aiga F, Tada T, Yoshimura R
2889 - 2899	Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model Adamo C, Scuseria GE, Barone V
2900 - 2909	Second- and third-order spin-orbit contributions to nuclear shielding tensors Vaara J, Ruud K, Vahtras O
2910 - 2920	Orbital transformations and configurational transformations of electronic wavefunctions Atchity GJ, Ruedenberg K
2921 - 2926	Infinite basis limits in electronic structure theory Fast PL, Sanchez ML, Truhlar DG
2927 - 2939	Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method Burghardt I, Meyer HD, Cederbaum LS
2940 - 2951	Physical and mathematical content of coupled-cluster equations. III. Model studies of dissociation processes for various reference states Jankowski K, Kowalski K
2952 - 2959	Physical and mathematical content of coupled-cluster equations. IV. Impact of approximations to the cluster operator on the structure of solutions Jankowski K, Kowalski K
2960 - 2967	Fourier transform spectroscopy and cross-section measurements of the Herzberg II bands of O-2 at 295 K Yoshino K, Esmond JR, Parkinson WH, Thorne AP, Learner RCM, Cox G
2968 - 2972	Regularity of the vibrational spectrum of the CS2 in the Sigma(+)(g) state: Our previous results revisited Michaille L, Rasbach U, Pique JP
2973 - 2977	Electronic states of the copper silicide and its ions Turski P, Barysz M
2978 - 2984	The O-H stretching vibrations of glycine trapped in rare gas matrices and helium clusters Huisken F, Werhahn O, Ivanov AY, Krasnokutski SA
2985 - 2990	Heteronuclear rare-gas dimer bonding: Understanding the nature of the Rydberg states that dissociate to the highest energy level of the Xe-*(5d) manifold Mao DM, Hu XK, Shi YJ, Lipson RH
2991 - 3003	Photodissociation of gas phase I-3(-) using femtosecond photoelectron spectroscopy Zanni MT, Greenblatt BJ, Davis AV, Neumark DM
3004 - 3011	Ab initio study of the dipole-bound anion (H2O...HCl)(-) Skurski P, Gutowski M
3012 - 3017	Microwave spectrum and molecular structure of PNO Okabayashi T, Yamazaki E, Tanimoto M
3018 - 3026	Torsional motion and vibrational overtone spectroscopy of methanol Hanninen V, Horn M, Halonen L
3027 - 3034	Assignment of the infrared spectra of the methanol trimer Tschumper GS, Gonzales JM, Schaefer HF
3035 - 3041	Electron diffraction studies of metal phthalocyanines, MPc, where M=Sn, Mg, and Zn (reinvestigation) Ruan CY, Mastryukov V, Fink M
3042 - 3050	Effects of vibration on the polarizability and the first and second hyperpolarizabilities of HF, HCl, and HBr Bishop DM, Norman P
3051 - 3057	Two-pulse laser control for selective photofragment orientation Machholm M, Henriksen NE
3058 - 3069	Rotational-resolved pulsed field ionization photoelectron study of NO+(X-1 Sigma(+),v(+)=0-32) in the energy range of 9.24-16.80 eV Jarvis GK, Evans M, Ng CY, Mitsuke K
3070 - 3076	On the strongly bound B (3)Pi state of the CAr van der Waals complex: Bonding and predissociation Sohlberg K, Yarkony DR
3077 - 3082	Two-dimensional nuclear magnetic resonance correlation spectroscopy at zero field Liao MY, Harbison GS
3083 - 3094	Interaction-site-model description of collective excitations in liquid water. I: Theoretical study Chong SH, Hirata F
3095 - 3104	Interaction-site-model description of collective excitations in liquid water. II: Comparison with simulation results Chong SH, Hirata F
3105 - 3114	Fifth-order two-dimensional Raman spectra of CS2 are dominated by third-order cascades Blank DA, Kaufman LJ, Fleming GR
3115 - 3120	Water <-> ice transformation in micron-size droplets in emulsions Tombari E, Ferrari C, Salvetti G, Johari GP
3121 - 3132	Effects of excited state mixing on transient absorption spectra in dimers: Application to photosynthetic light-harvesting complex II Valkunas L, Cervinskas V, Trinkunas G, Muller MG, Holzwarth AR
3133 - 3144	Why clathrates are good thermoelectrics: A theoretical study of Sr8Ga16Ge30 Blake NP, Mollnitz L, Kresse G, Metiu H
3145 - 3154	Electron spin resonance and theoretical studies of the N-14 center dot center dot center dot center dot N-14 and N-15 center dot center dot center dot center dot N-15 spin-pair radicals in neon matrices: The effects of mixing among the (1)Sigma(+)(g), (3)Sigma(+)(u), (5)Sigma(+)(g), and (7)Sigma(+)(u) electronic states Knight LB, Bell BA, Cobranchi DP, Davidson ER
3155 - 3162	Ewald summation for systems with slab geometry Yeh IC, Berkowitz ML
3163 - 3174	Two-order-parameter description of liquids. I. A general model of glass transition covering its strong to fragile limit Tanaka H
3175 - 3182	Two-order-parameter description of liquids. II. Criteria for vitrification and predictions of our model Tanaka H
3183 - 3191	Critical properties of mixtures of alkanes from perturbation theory MacDowell LG, Vega C, Lopez-Rodriguez A
3192 - 3202	Excess properties of mixtures of n-alkanes from perturbation theory Vega C, MacDowell LG, Lopez-Rodriguez A
3203 - 3208	A Delta-self-consistent-field study of the nitrogen 1s binding energies in carbon nitrides Johansson A, Stafstrom S
3209 - 3217	Interaction of gaseous D atoms with alkyl halides adsorbed on Pt(111), H/Pt(111), and C/Pt(111) surfaces: Hot-atom and eley-rideal reactions. I. Methyl bromide Wehner S, Kuppers J
3218 - 3224	Interaction of gaseous d atoms with alkyl halides adsorbed on Pt(111), H/Pt(111), and C/Pt(111) surfaces: Hot-atom and eley-rideal reactions. II. Ethyl iodide Wehner S, Kuppers J
3225 - 3232	Interaction of gaseous D atoms with alkyl halides adsorbed on Pt(111), H/Pt(111), and C/Pt(111) surfaces: Hot-atom and eley-rideal reactions. III. Isopropyl iodide Wehner S, Kuppers J
3233 - 3236	Surface properties of diluted aqueous solutions of 1,2-pentanediol Glinski J, Chavepeyer G, Platten JK
3237 - 3251	Chemisorption of acrylonitrile on the Cu(100) surface: A local density functional study Crispin X, Bureau C, Geskin VM, Lazzaroni R, Salaneck WR, Bredas JL
3252 - 3264	Nonequilibrium molecular dynamics simulation of transport and separation of gases in carbon nanopores. I. Basic results Xu LF, Tsotsis TT, Sahimi M
3265 - 3273	Lubrication corrections for three-particle contribution to short-time self-diffusion coefficients in colloidal dispersions Cichocki B, Ekiel-Jezewska ML, Wajnryb E
3274 - 3277	Polymer collapse in supercritical solvents Dua A, Cherayil BJ
3278 - 3287	A Monte Carlo study of model electrorheological fluids Blair MJ, Patey GN
3288 - 3293	Time-temperature and time-density superposition in the simulation of rheological properties of polymers Rouault Y, Kremer K
3294 - 3301	Shear induced fluctuations and fluctuation-length transition in the quasiflexible polymer in a solution of a hydrogen-bond enhancing solvent Tsunashima Y, Kawanishi H
3302 - 3308	Lithium perchlorate ion pairing in a model of amorphous polyethylene oxide Halley JW, Duan Y, Curtiss LA, Baboul AG
3309 - 3310	GAUSSIAN-2 calculations of the electron affinities of PCln and POCln Miller TM, Viggiano AA, Morris RA, Miller AES
3311 - 3312	Random walks with nearest neighbors prohibited on the diamond lattice Tchijov V, Rodriguez-Romo S
3313 - 3313	Hydrothermodynamic consideration on the steady-state motion of a solid/liquid interface (vol 110, pg 8679, 1999) Mori A
3313 - 3313	"Comment on 'Simple reversible molecular dynamics algorithms for Nose-Hoover chain dynamics' " (vol 110, pg 3623, 1999) Tuckerman ME, Martyna GJ