Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

7175 - 7178	A second rhomboidal isomer of SiC3 McCarthy MC, Apponi AJ, Thaddeus P
7179 - 7182	Relative formation rates of O-50(3) and O-52(3) in O-16-O-18 mixtures Janssen C, Guenther J, Krankowsky D, Mauersberger K
7183 - 7186	Femtosecond fluorescence depletion spectroscopy of NO2 multiphoton dissociation dynamics Lopez-Martens RB, Schmidt TW, Roberts G
7187 - 7196	Scattering matrix determination by asymptotic analysis of complex scaled resonance wave functions: Model Cl+H-2 nonadiabatic dynamics Friedman RS, Ryaboy VM, Moiseyev N
7197 - 7208	Multireference perturbation configuration interaction methods for solvated systems described within the polarizable continuum model Mennucci B, Toniolo A, Cappelli C
7209 - 7214	A direct method of calculating sensitivity coefficients of chemical kinetics Shen J
7215 - 7224	Simulation of a free energy upper bound, based on the anticorrelation between an approximate free energy functional and its fluctuation Meirovitch H
7225 - 7235	Vector parametrization of the N-atom problem in quantum mechanics. III. Separation into two subsystems: Application to NH3 Gatti F
7236 - 7243	Fully coupled 6D calculations of the ammonia vibration-inversion-tunneling states with a split Hamiltonian pseudospectral approach Gatti F, Iung C, Leforestier C, Chapuisat X
7244 - 7254	Numerical implementation of a mixed quantum classical rate theory Liao JL, Pollak E
7255 - 7271	General formulation of the vibrational kinetic energy operator in internal bond-angle coordinates Frederick JH, Woywod C
7272 - 7277	A new time-dependent wave operator approach to the internal eigenstate problems for large matrices Jolicard G, Killingbeck JP, Grosjean A, Zucconi JM
7278 - 7289	Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules Patil SH, Tang KT, Toennies JP
7290 - 7297	Theoretical studies of rotation induced Fermi resonances in HOCl Chen R, Guo H, Skokov S, Bowman JM
7298 - 7315	The chemi-ionization of He-*(2 S-1,S-3) plus Ar,Kr,Xe for collision energies from 0.003 to 6 eV Feltgen R, Ferkel H, Helbing RKB, Lindinger A, Pikorz D, Vehmeyer H
7316 - 7320	Nondissociative low-energy electron attachment to c-C7F14 and C6F6: Intermediate lifetimes Finch CD, Parthasarathy R, Hill SB, Dunning FB
7321 - 7328	Infrared spectrum and energy levels of the CO dimer: Evidence for two almost isoenergetic isomers Brookes MD, McKellar ARW
7329 - 7336	Ultrafast photodissociation studies of acetyl cyanide and acetic acid and unimolecular decomposition rates of the acetyl radical products Owrutsky JC, Baronavski AP
7337 - 7347	Electronic absorption spectrum of cold naphthalene cation in the gas phase by photodissociation of its van der Waals complexes Pino T, Boudin N, Brechignac P
7348 - 7358	Vibrational state-resolved study of the O-+H-2 reaction: Isotope effects on the product energy partitioning Lee ST, Farrar JM
7359 - 7368	State-to-state unimolecular reaction dynamics of HOCl near the dissociation threshold: The role of vibrations, rotations, and IVR probed by time- and eigenstate-resolved spectroscopy Callegari A, Rebstein J, Jost R, Rizzo TR
7369 - 7372	The CO product of the reaction of O(P-3) with CH3 radicals Min ZY, Quandt RW, Wong TH, Bersohn R
7373 - 7382	Unraveling the energy dependence in large Delta E (V -> RT) energy transfer: Separation of Delta E and probability in the collisional relaxation of highly vibrationally excited pyrazine (E-vib=36 000 to 41 000 cm(-1)) by CO2 Wall MC, Lemoff AE, Mullin AS
7383 - 7396	Product quantum-state-dependent anisotropies in photoinitiated unimolecular decomposition Demyanenko AV, Dribinski V, Reisler H, Meyer H, Qian CXW
7397 - 7401	Electronic absorption spectra of linear C-6, C-8 and cyclic C-10, C-12 in neon matrices Grutter M, Wyss M, Riaplov E, Maier JP, Peyerimhoff SD, Hanrath M
7402 - 7404	Structural evolution of W nano clusters with increasing cluster size Oh SJ, Huh SH, Kim HK, Park JW, Lee GH
7405 - 7415	Transition probabilities and electronic transition moments of the A (2)Sigma(+)-X (2)Pi and D (2)Sigma(+)-X (2)Pi systems of nitric oxide Luque J, Crosley DR
7416 - 7425	Stochastic-trajectories and nonPoisson kinetics in single-molecule spectroscopy Chernyak V, Schulz M, Mukamel S
7426 - 7434	A new, fully ab initio investigation of the NO(X (2)Pi)Ar system. I. Potential energy surfaces and inelastic scattering Alexander MH
7435 - 7439	A new, fully ab initio investigation of the ArNO(X (2)Pi) system. II. Bound states of the Ar-NO complex Alexander MH
7440 - 7445	Interaction-induced pair hyperpolarizabilities by spherical irreducible tensors Bancewicz T
7446 - 7456	A theoretical study of the vibrational energy spectrum of the HOCl/HClO system on an accurate ab initio potential energy surface Peterson KA, Skokov S, Bowman JM
7457 - 7471	Crossed beam reaction of cyano radicals with hydrocarbon molecules. I. Chemical dynamics of cyanobenzene (C6H5CN; X (1)A(1)) and perdeutero cyanobenzene (C6D5CN; X (1)A(1)) formation from reaction of CN(X (2)Sigma(+)) with benzene C6H6(X (1)A(1g)), and d(6)-benzene C6D6(X (1)A(1g)) Balucani N, Asvany O, Chang AHH, Lin SH, Lee YT, Kaiser RI, Bettinger HF, Schleyer PVR, Schaefer HF
7472 - 7479	Crossed beam reaction of cyano radicals with hydrocarbon molecules. II. Chemical dynamics of 1-cyano-1-methylallene (CNCH3CCCH2; X (1)A(')) formation from reaction of CN(X (2)Sigma(+)) with dimethylacetylene CH3CCCH3 (X (1)A(1)(')) Balucani N, Asvany O, Chang AHH, Lin SH, Lee YT, Kaiser RI, Bettinger HF, Schleyer PV, Schaefer HF
7480 - 7485	Proton polarization transfer in a ring system Khitrin AK, Fung BM
7486 - 7492	Nonlinear optical properties of push-pull stilbenes based on a strong carbocation acceptor moiety Paci B, Schmidt C, Fiorini C, Nunzi JM, Arbez-Gindre C, Screttas CG
7493 - 7500	Simulation of muonium formation in liquid hydrocarbons Siebbeles LDA, Pimblott SM, Cox SFJ
7501 - 7504	Some fundamental statistical mechanical relations concerning physical clusters of interest to nucleation theory Reiss H, Bowles RK
7505 - 7511	Anisotropic diffusion of nonspherical molecules in dense liquids: A molecular dynamics simulation of isolated ellipsoids in the sea of spheres Ravichandran S, Bagchi B
7512 - 7518	Development and experimental verification of a theory for high-field, ultralow-temperature magnetic linear dichroism of glasses containing molecular chromophores with spin doublet ground states Bominaar EL, Peterson J
7519 - 7525	On the effect of Lennard-Jones parameters on the quantum mechanical and molecular mechanical coupling in a hybrid molecular dynamics simulation of liquid water Tu YQ, Laaksonen A
7526 - 7536	Molecular dynamics simulations of sodium chloride solutions in water-dimethyl sulphoxide mixtures: Potentials of mean force and solvation structures Das AK, Tembe BL
7537 - 7545	Bronsted acid sites in gmelinite Benco L, Demuth T, Hafner J, Hutschka F
7546 - 7557	On the conduction mechanism in ionic glasses Baranovskii SD, Cordes H
7558 - 7566	Transient resonance structures in electron tunneling through water Peskin U, Edlund A, Bar-On I, Galperin M, Nitzan A
7567 - 7575	Trapping dynamics of ethane on Si(100)-(2x1): Molecular beam experiments and molecular dynamics simulations Reeves CT, Ferguson BA, Mullins CB, Sitz GO, Helmer BA, Graves DB
7576 - 7582	Theoretical interpretation of the electroabsorption spectra of polyacene crystals. II. Charge-transfer states Slawik M, Petelenz P
7583 - 7592	Cluster-surface collisions: Characteristics of Xe-55- and C-20-Si[111] surface bombardment Cheng HP
7593 - 7598	A theoretical study of hole induced desorption Katz G, Kosloff R, Zeiri Y
7599 - 7613	Computational study of molecular hydrogen in zeolite Na-A. I. Potential energy surfaces and thermodynamic separation factors for ortho and para hydrogen Anderson CR, Coker DF, Eckert J, Bug ALR
7614 - 7623	Brownian dynamics simulation of bead-rod chains under shear with hydrodynamic interaction Petera D, Muthukumar M
7624 - 7635	Phase behavior of an asymmetric vector lattice model for oil-water-amphiphile mixtures Pretti M, Buzano C
7636 - 7645	A scaling approximation for structure factors in the integral equation theory of polydisperse nonionic colloidal fluids Gazzillo D, Giacometti A, Della Valle RG, Venuti E, Carsughi F
7646 - 7651	Structure of droplet microemulsions in the semi-dilute regime Guerra C, Somoza AM, da Gama MMT
7652 - 7656	Spectral diffusion in low temperature polymers: Deviation from logarithmic temporal hole broadening Osad'ko IS, Yershova LB
7657 - 7667	Dynamic scaling concepts applied to numerical solutions of Smoluchowski's rate equation Odriozola G, Schmitt A, Callejas-Fernandez J, Martinez-Garcia R, Hidalgo-Alvarez R
7668 - 7674	Interactive forces on Aerosol-OT/n-hexane/water/urea reversed micelles by small angle x-ray scattering Itri R, Amaral CLC, Politi MJ
7675 - 7684	Nematic contact lines and the Neumann and Young equations for liquid crystals Rey AD
7685 - 7686	Comment on "A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo" [J. Chem. Phys. 109, 2123 (1998)] Doll JD, Freeman DL
7687 - 7687	Response to "Comment on 'A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo' " [J. Chem. Phys. 111, 7685 (1999)] Chakravarty C, Gordillo MC, Ceperley DM