Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.108, No.21 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (47 articles)

6519 - 6520	Tribute to Hans C. Andersen Chandler D, Weeks JD
6521 - 6528	Autobiographical sketch of Hans C. Andersen Andersen HC
6529 - 6535	Free energy of oxidation of metal aqua ions by an enforced change of coordination Blumberger J, Sprik M
6536 - 6543	Vibrational echoes: Dephasing, rephasing, and the stability of classical trajectories Noid WG, Ezra GS, Loring RF
6544 - 6554	Hydrogen bond networks: Structure and evolution after hydrogen bond breaking Asbury JB, Steinel T, Fayer MD
6555 - 6563	Understanding the limitations of the virial in the simulation of nanosystems: A puzzle that stimulated the search for understanding Reiss H, Reguera D
6564 - 6570	Asymmetry in the shapes of folded and denatured states of proteins Dima RI, Thirumalai D
6571 - 6581	Describing protein folding kinetics by molecular dynamics simulations. 1. Theory Swope WC, Pitera JW, Suits F
6582 - 6594	Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and beta-hairpin peptide Swope WC, Pitera JW, Suits F, Pitman M, Eleftheriou M, Fitch BG, Germain RS, Rayshubski A, Ward TJC, Zhestkov Y, Zhou R
6595 - 6602	On the calculation of diffusion coefficients in confined fluids and interfaces with an application to the liquid-vapor interface of water Liu P, Harder E, Berne BJ
6603 - 6610	Hydrogen bonding structure and dynamics of water at the dimyristoylphosphatidylcholine lipid bilayer surface from a molecular dynamics simulation Lopez CF, Nielsen SO, Klein ML, Moore PB
6611 - 6615	Geometrical picture of dynamical facilitation Whitelam S, Garrahan JP
6616 - 6623	Molecular dynamics of excited state intramolecular proton transfer: 2-(2'-hydroxyphenyl)-4-methyloxazole in gas phase, solution, and protein environments Vendrell O, Moreno M, Lluch JM, Hammes-Schiffer S
6624 - 6633	Dynamical arrest in superionic crystals and supercooled liquids Gray-Weale A, Madden PA
6634 - 6642	The energy landscape of a fluorite-structured superionic conductor Gray-Weale A, Madden PA
6643 - 6654	First-shell solvation of ion pairs: Correction of systematic errors in implicit solvent models Yu ZY, Jacobson MP, Josovitz J, Rapp CS, Friesner RA
6655 - 6662	Dynamic heterogeneities in supercooled water Giovambattista N, Mazza MG, Buldyrev SV, Starr FW, Stanley HE
6663 - 6666	Forces between two colloidal particles in a nematic solvent Al-Barwani MS, Sutcliffe GS, Allen MP
6667 - 6672	Equilibrium time correlation functions from irreversible transformations in trajectory space Geissler PL, Dellago C
6673 - 6686	The relaxation dynamics of a supercooled liquid confined by rough walls Scheidler P, Kob W, Binder K
6687 - 6696	Liquid-state theory of structure, thermodynamics, and phase separation in suspensions of rod polymers and hard spheres Chen YL, Schweizer KS
6697 - 6706	An integral equation approach to effective interactions between polymers in solution Krakoviack V, Rotenberg B, Hansen JP
6707 - 6718	Free energy and structure of dislocation cores in two-dimensional crystals Bladon PB, Frenkel A
6719 - 6722	Nonergodicity for a van der waals glass model Kawasaki K
6723 - 6732	Electronic decoherence induced by intramolecular vibrational motions in a betaine dye molecule Hwang H, Rossky PJ
6733 - 6744	Self-consistent field theory of polyelectrolyte systems Wang Q, Taniguchi T, Fredrickson GH
6745 - 6749	Model study of coherent-control of the femtosecond primary event of vision Flores SC, Batista VS
6750 - 6759	Fluid critical points from simulations: The Bruce-Wilding method and Yang-Yang anomalies Kim YC, Fisher ME
6760 - 6766	A multigrid algorithm for sampling imaginary-time paths in quantum Monte Carlo simulations Mak CH
6767 - 6771	Brownian motion of a rough sphere and the Stokes-Einstein Law Schmidt JR, Skinner JL
6772 - 6777	Inherent-structure view of self-diffusion in liquids Shell MS, Debenedetti PG, Stillinger FH
6778 - 6781	Micelle formation and the hydrophobic effect Maibaum L, Dinner AR, Chandler D
6782 - 6795	A case study in the molecular interpretation of optical Kerr effect spectra: Instantaneous-normal-mode analysis of the OKE spectrum of liquid benzene Ryu S, Stratt RM
6796 - 6808	East model: Basis set expansion, mode coupling, and irreducible memory kernels Wu JL, Cao JS
6809 - 6815	Phase transitions of confined lattice homopolymers Hehmeyer OJ, Arya G, Panagiotopoulos AZ
6816 - 6825	Phase space features and statistical aspects of forward-backward semiclassical dynamics Wright NJ, Makri N
6826 - 6831	Importance of excluded volume on the solvation of urea in water Mountain RD, Thirumalai D
6832 - 6837	Numerical investigation of the entropy crisis in model glass formers Brumer Y, Reichman DR
6838 - 6843	Measuring the force ejecting DNA from phage Evilevitch A, Castelnovo M, Knobler CM, Gelbart WM
6844 - 6849	Optimal allocation of replicas to processors in parallel tempering simulations Earl DJ, Deem MW
6850 - 6855	Organization of coordination polyhedra in an amorphous binary alloy Fernandez JR, Harrowell P
6856 - 6865	Instantaneous normal modes and cooperative dynamics in a quasi-two-dimensional system of particles Zangi R, Rice SA
6866 - 6869	On the equivalence of atomic and molecular pressure Akkermans RLC, Ciccotti G
6870 - 6876	Modified statistical treatment of kinetic energy in the Thomas-Fermi model Chai JD, Weeks JA
6877 - 6882	Reformulation of Weeks-Chandler-Andersen perturbation theory directly in terms of a hard-sphere reference system Ben-Amotz D, Stell G
6883 - 6892	Combining the semiclassical initial value representation with centroid dynamics Ka BJ, Voth GA
6893 - 6900	Spontaneous relaxation in generalized oscillator models with glassy dynamics Ritort F