Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

3447 - 3450	A scaling principle for the dynamics of density fluctuations in atomic liquids Young T, Andersen HC
3451 - 3454	Nuclear magnetic resonance noise spectroscopy using two-photon excitation Michal CA
3455 - 3457	Free energy barrier to melting of single-chain polymer crystallite Hu WB, Frenkel D, Mathot VBF
3458 - 3469	Molecular vibrations: Iterative solution with energy selected bases Lee HS, Light JC
3470 - 3479	Multichromophore excitons and resonance energy transfer: Molecular quantum electrodynamics Jenkins RD, Andrews DL
3480 - 3490	Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations Cho MH
3491 - 3498	Correlation between electronic and molecular structure distortions and vibrational properties. II. Amide I modes of NMA-nD(2)O complexes Ham S, Kim JH, Lee H, Cho MH
3499 - 3509	Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions Parra RD, Bulusu S, Zeng XC
3510 - 3522	Performance of coupled cluster theory in thermochemical calculations of small halogenated compounds Feller D, Peterson KA, de Jong WA, Dixon DA
3523 - 3531	Modeling chemical reactions for conformationally mobile systems with force field methods Olsen PT, Jensen F
3532 - 3537	On the efficient representation of comprehensive, precise spectroscopic data sets: The A state of I-2 Tellinghuisen J
3538 - 3542	Rotation-vibration states of H-3(+) at dissociation Kostin MA, Polyansky OL, Tennyson J, Mussa HY
3543 - 3548	Emission spectra of TiH and TiD near 938 nm Andersson N, Balfour WJ, Bernath PF, Lindgren B, Ram RS
3549 - 3557	Rotational spectra of C4N, C6N, and the isotopic species of C3N McCarthy MC, Fuchs GW, Kucera J, Winnewisser G, Thaddeus P
3558 - 3570	Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si-7-Si-11 Zhu XL, Zeng XC
3571 - 3582	Ionization energies and spatial volumes of the singly occupied molecular orbital in hydrated magnesium clusters [Mg,nH(2)O](+) Reinhard BM, Niedner-Schatteburg G
3583 - 3588	Short H-bonds and spontaneous self-dissociation in (H2O)(20): Effects of H-bond topology Kuo JL, Ciobanu CV, Ojamae L, Shavitt I, Singer SJ
3589 - 3599	The absorption spectroscopy of the lowest pseudorotational states of tetrahydrofuran Melnik DG, Gopalakrishnan S, Miller TA, De Lucia FC
3600 - 3611	Photodissociation of highly vibrationally excited NH3 in the 5 nu(N-H) region: Initial vibrational state dependence of N-H bond dissociation cross section Akagi H, Yokoyama K, Yokoyama A
3612 - 3621	Infrared spectroscopy of (CO2)(N) nanoparticles (30 < N < 14500) flowing in a uniform supersonic expansion Bonnamy A, Georges R, Benidar A, Boissoles J, Canosa A, Rowe BR
3622 - 3627	Infrared emission spectra of BeH2 and BeD2 Shayesteh A, Tereszchuk K, Bernath PF, Colin R
3628 - 3638	Phase behavior of Stockmayer fluids confined to a nonpolar porous material Spoler C, Klapp SHL
3639 - 3645	Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states Kreitmeir M, Bertagnolli H, Mortensen JJ, Parrinello M
3646 - 3650	Computer simulation of structural properties of dilute aqueous solutions of argon at supercritical conditions De Grandis V, Gallo P, Rovere M
3651 - 3659	Linear and nonlinear infrared signatures of local alpha- and 3(10)-helical structures in alanine polypeptides Moran AM, Park SM, Dreyer J, Mukamel S
3660 - 3667	Investigating pure vibrational dephasing of I-3(-) in solution: Temperature dependence of T-2(*) for the fundamental and first harmonic of nu(1) Gershgoren E, Wang ZH, Ruhman S, Vala J, Kosloff R
3668 - 3676	Structure of nonuniform three-component fluid mixtures: A density-functional approach Patra CN, Ghosh SK
3677 - 3685	Effect of molecular elongation on the thermal conductivity of diatomic liquids Tokumasu T, Ohara T, Kamijo K
3686 - 3691	Spin counting experiments in the dipolar-ordered state Cho H, Cory DG, Ramanathan C
3692 - 3701	Liquid-phase adaptive femtosecond quantum control: Removing intrinsic intensity dependencies Brixner T, Damrauer NH, Kiefer B, Gerber G
3702 - 3710	Effect of a nearby charge-ordered phase on correlation functions in ionic systems Ciach A, Gozdz WT, Evans R
3711 - 3716	Effects of microscopic disorder in electroabsorption spectroscopy: Orientational disorder in the fullerene crystal Eilmes A, Petelenz P
3717 - 3723	Biological calcium phosphates and Posner's cluster Yin XL, Stott MJ
3724 - 3730	CO-induced restructuring of Pt(110)-(1x2): Bridging the pressure gap with high-pressure scanning tunneling microscopy Thostrup P, Vestergaard EK, An T, Laegsgaard E, Besenbacher F
3731 - 3735	Charge trapping in DNA due to intrinsic vibrational hot spots Kalosakas G, Rasmussen KO, Bishop AR
3736 - 3747	Two-vibron bound states lifetime in a one-dimensional molecular lattice coupled to acoustic phonons Pouthier V
3748 - 3755	Core level spectra of amorphous carbon nitride Ripalda JM, Roman E, Galan L, Montero I, Lizzit S, Baraldi A, Comelli G, Paolucci G, Goldoni A
3756 - 3763	The electrostatic potential profile along a biased molecular wire: A model quantum-mechanical calculation Pleutin S, Grabert H, Ingold GL, Nitzan A
3764 - 3774	Three-dimensional band structure and bandlike mobility in oligoacene single crystals: A theoretical investigation Cheng YC, Silbey RJ, da Silva DA, Calbert JP, Cornil J, Bredas JL
3775 - 3781	Corrections to the strong-stretching theory of polymer brushes due to the proximal layer Matsen MW, Gardiner JM
3782 - 3789	Orbital rehybridization in n-octane adsorbed on Cu(110) Ostrom H, Triguero L, Weiss K, Ogasawara H, Garnier MG, Nordlund D, Nyberg M, Pettersson LGM, Nilsson A
3790 - 3803	Electrostatically induced submicron patterning of thin perfect and leaky dielectric films: A generalized linear stability analysis Pease LF, Russel WB
3804 - 3815	Molecular concepts of normal and superconducting states in acenes and B,N-substituted acenes: A theoretical study Kato T, Yamabe T
3816 - 3826	Sphere-to-rod transitions of micelles in model nonionic surfactant solutions Al-Anber ZA, Avalos JBI, Floriano MA, Mackie AD
3827 - 3834	Ultrafast crystallization of polar polymer melts Gee RH, Fried LE
3835 - 3842	Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids Yu YX, Wu JZ
3843 - 3854	Using self-consistent fields to bias Monte Carlo methods with applications to designing and sampling protein sequences Zou JM, Saven JG
3855 - 3860	Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA Crozier PS, Stevens MJ
3861 - 3866	Solvent effect on single-chain collapse of poly(methyl methacrylate) in tert-butyl alcohol Nakamura Y, Sasaki N, Nakata M
3867 - 3873	Self-diffusion of linear and cyclic alkanes, measured with pulsed-gradient spin-echo nuclear magnetic resonance von Meerwall E, Ozisik R, Mattice WL, Pfister PM
3874 - 3879	Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer Mezei M
3880 - 3890	Phase separation in suspensions of colloids, polymers and nanoparticles: Role of solvent quality, physical mesh, and nonlocal entropic repulsion Chen YL, Schweizer KS, Fuchs M
3891 - 3897	Free energy landscapes of model peptides and proteins Evans DA, Wales DJ
3898 - 3903	Linear gradient copolymer melt brushes Pickett GT
3904 - 3905	Osmotic pressure of isotropic solutions of rodlike polymers Yethiraj A
3906 - 3906	Ultrafast dichroism spectroscopy of anthracene in solution. II. Solvation dynamics from a one-dimensional experiment (vol 115, pg 4223, 2001) Zhang YH, Berg MA