화학공학소재연구정보센터

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