Works in Molecular Physics, 2006, Vol 104, Issue 22-24

Results: 44

7th Liblice Conference on the Statistical Mechanics of Liquids Lednice, Czech Republic June 11-16 2006 http://www.icpf.cas.cz/theory/Liblice.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3387, doi. 10.1080/00268970601111355

By:

Jackson, George;
Nezbeda, Ivo

Publication type:

Article

Athermal models for diblock copolymer self-assembly.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3389, doi. 10.1080/00268970600911540

By:

Hansen, Jean-Pierre;
Pearson, Chris

Publication type:

Article

The evolution of some statistical mechanical ideas.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3399, doi. 10.1080/00268970600965835

By:

Rowlinson, J. S.

Publication type:

Article

Are the energy and virial routes to thermodynamics equivalent for hard spheres?

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3411, doi. 10.1080/00268970600968011

By:

Santos, Andrés

Publication type:

Article

Ornstein-Zernike equations for highly asymmetric mixtures: confronting the no-solution challenge.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3419, doi. 10.1080/00268970600988449

By:

Amokrane, S.;
Ayadim, A.;
Malherbe, J. G.

Publication type:

Article

Hard-sphere radial distribution function from the residual chemical potential.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3425, doi. 10.1080/00268970601014831

By:

Boublík, Tomáš

Publication type:

Article

Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3435, doi. 10.1080/00268970600967963

By:

Kolafa, J.;
Rottner, M.

Publication type:

Article

Field theoretical description of the liquid state. Exact relations. The role of the ideal entropy revisited.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3443, doi. 10.1080/00268970601014815

By:

Caprio, D. Di;
Badiali, J. P.;
Stafiej, J.

Publication type:

Article

Phase behaviour of polydisperse sticky hard spheres: analytical solutions and perturbation theory.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3451, doi. 10.1080/00268970601050892

By:

Gazzillo, Domenico;
Fantoni, Riccardo;
Giacometti, Achille

Publication type:

Article

Test of a universality ansatz for the contact values of the radial distribution functions of hard-sphere mixtures near a hard wall.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3461, doi. 10.1080/00268970601028963

By:

De Haro, Mariano López;
Yuste, Santos B.;
Santos, Andrés

Publication type:

Article

Line adsorption in a mean-field density-functional model.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3469, doi. 10.1080/00268970600958574

By:

Koga, K.;
Widom, B.

Publication type:

Article

Adsorption of short chains in slitlike pores: a quantitative comparison between density functional approach and Monte Carlo simulations.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3479, doi. 10.1080/00268970600958681

By:

Borówko, M.;
R...ysko, M.;
Sokołowski, S.;
Staszewski, T.

Publication type:

Article

Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3491, doi. 10.1080/00268970601012736

By:

Coasne, B.;
Jain, S. K.;
Gubbins, K. E.

Publication type:

Article

On the structure of condensed phases confined between crystalline walls of triangular symmetry.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3501, doi. 10.1080/00268970600975578

By:

Patrykiejew, A.;
Sokołowski, S.

Publication type:

Article

Modelling the thermal stability of precursor nanoparticles in zeolite synthesis.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3513, doi. 10.1080/00268970601014864

By:

Jorge, Miguel;
Auerbach, Scott M.;
Monson, Peter A.

Publication type:

Article

Effect of attraction on the dynamical arrest of soft colloids.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3523, doi. 10.1080/00268970600976733

By:

Verso, Federica Lo;
Likos, Christos N.;
Mayer, Christian;
Reatto, Luciano

Publication type:

Article

Surface critical behaviour of fluids and magnets.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3535, doi. 10.1080/00268970601076434

By:

Brovchenko, Ivan;
Oleinikova, Alla

Publication type:

Article

A study of Wertheim's thermodynamic perturbation theory (TPT1) for associating fluids with dispersive interactions: the importance of the association range.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3551, doi. 10.1080/00268970601076467

By:

Docherty, H.;
Galindo, A.

Publication type:

Article

Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3561, doi. 10.1080/00268970601081475

By:

Clark, Gary N. I.;
Haslam, Andrew J.;
Galindo, Amparo;
Jackson, George

Publication type:

Article

Absence of superheating for ice Ih with a free surface: a new method of determining the melting point of different water models.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3583, doi. 10.1080/00268970600967948

By:

Vega, Carlos;
Martin-Conde, Maria;
Patrykiejew, Andrzej

Publication type:

Article

Solvation in modified water models: towards understanding hydrophobic effects.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3593, doi. 10.1080/00268970601022727

By:

Lynden-bell, R. M.;
Head-gordon, Teresa

Publication type:

Article

The effect of water structure and surface charge correlations on the hydration force acting between model hydrophilic surfaces.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3607, doi. 10.1080/00268970601017347

By:

Lu, L.;
Berkowitz, M. L.

Publication type:

Article

Vapor-liquid equilibria of water from first principles: comparison of density functionals and basis sets.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3619, doi. 10.1080/00268970601014781

By:

McGrath, M. J.;
Siepmann, J. I.;
Kuo, I. -F. W.;
Mundy, C. J.

Publication type:

Article

Molecular dynamics study of nitrobenzene and 2-nitrophenyloctyl ether saturated with water.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3627, doi. 10.1080/00268970601076509

By:

Jorge, M.;
Gulaboski, R.;
Pereira, C. M.;
Cordeiro, M. N. D. S.

Publication type:

Article

Molecular dynamics simulation of AOT reverse micelles.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3635, doi. 10.1080/00268970601012728

By:

Brodskaya, Elena N.;
Mudzhikova, Galina V.

Publication type:

Article

Molecular dynamics simulation of micellar aggregates in aqueous solution of hexadecyl trimethylammonium chloride with different additives.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3645, doi. 10.1080/00268970601014807

By:

Piotrovskaya, E. M.;
Vanin, A. A.;
Smirnova, N. A.

Publication type:

Article

"KMC-TDGL" - a coarse-grained methodology for simulating interfacial dynamics in complex fluids: application to protein-mediated membrane processes.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3653, doi. 10.1080/00268970600997580

By:

Weinstein, J.;
Radhakrishnan, R.

Publication type:

Article

Effective charges of micellar species obtained from Brownian dynamics simulations and from an analytical transport theory.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3667, doi. 10.1080/00268970600997564

By:

Jardat, M.;
Dahirel, V.;
Durand-Vidal, S.;
Lucas, I.;
Bernard, O.;
Turq, P.

Publication type:

Article

Free energy calculations of spherical and cylindrical micelles using Monte Carlo expanded ensemble method.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3675, doi. 10.1080/00268970600982053

By:

Burov, S. V.;
Vorontsov-Velyaminov, P. N.;
Piotrovskaya, E. M.

Publication type:

Article

Study of the pitch of fluids of electrostatically chiral anisotropic molecules: mean-field theory and simulation.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3681, doi. 10.1080/00268970601058556

By:

Varga, S.;
Jackson, G.

Publication type:

Article

Fractionation in polydisperse systems of spherocylindrical rods: the influence of attractive interactions and adjacent substrates.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3693, doi. 10.1080/00268970601089940

By:

Richter, Andreas;
Gruhn, Thomas

Publication type:

Article

Ideal gas pressure bath: a method for applying hydrostatic pressure in the computer simulation of nanoparticles.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3709, doi. 10.1080/00268970600968052

By:

Grünwald, M.;
Dellago, C.

Publication type:

Article

On the sampling requirements for exponential-work free-energy calculations.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3701, doi. 10.1080/00268970601074421

By:

Kofke, D. A.

Publication type:

Article

Detailed examination of the calculation of the pressure in simulations of systems with discontinuous interactions from the mechanical and thermodynamic perspectives.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3717, doi. 10.1080/00268970601095335

By:

De Miguel, Enrique;
Jackson, George

Publication type:

Article

Configurational temperature and pressure molecular dynamics: review of current methodology and applications to the shear flow of a simple fluid.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3735, doi. 10.1080/00268970601014880

By:

Travis, Karl P.;
Braga, Carlos

Publication type:

Article

Hydrodynamics in a nanoscale liquid: comparisons with molecular dynamics in non-stationary processes.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3751, doi. 10.1080/00268970600979182

By:

Okumura, Hisashi

Publication type:

Article

Interaction potentials and thermodynamics of small polar molecules. The case of C1-Freons (halomethanes).

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3757, doi. 10.1080/00268970601086722

By:

Del^Río, F.;
Mclure, I. A.;
Chávez, J.;
Ramos, J. E.;
Ávalos, E.

Publication type:

Article

Anomalous temperature dependence of the differential capacitance in valence asymmetric electrolytes. Comparison of Monte Carlo simulation results and the field theoretical approach.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3777, doi. 10.1080/00268970600976774

By:

Caprio, Dung Di;
Valiskó, Mónika;
Holovko, Myroslav;
Boda, Dezső

Publication type:

Article

Calculations of the potential of mean force from molecular dynamics simulations using different methodologies: an application to the determination of the binding thermodynamic properties of an ion pair.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3787, doi. 10.1080/00268970601027387

By:

Ghoufi, Aziz;
Malfreyt, Patrice

Publication type:

Article

Thermodynamics of the soft and extended soft mean spherical model.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3801, doi. 10.1080/00268970600982103

By:

Blum, L.;
Arias, M.

Publication type:

Article

Self-diffusivity and velocity autocorrelation functions for xenon in NaY using memory kernels.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3809, doi. 10.1080/00268970601089965

By:

Kharat, P.;
Krishnan, S. H.;
Ayappa, K. G.

Publication type:

Article

Monte Carlo simulation and renormalized perturbation theory study of the dielectric properties of mixtures of polarizable hard spheres and polarizable dipolar hard spheres.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3821, doi. 10.1080/00268970601104822

By:

Malasics, Attila;
Boda, Dezső;
Valiskó, Mónika

Publication type:

Article

Investigation of phase separation within the generalized Lin-Taylor model for a binary liquid mixture of large hexagonal and small triangular particles.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3831, doi. 10.1080/00268970600935051

By:

Strecka, J.;
Canová, L.;
Jascur, M.

Publication type:

Article

Percolation transition of hydration water in biosystems.

Published in:

Molecular Physics, 2006, v. 104, n. 22-24, p. 3841, doi. 10.1080/00268970601108229

By:

Oleinikova, Alla;
Brovchenko, Ivan

Publication type:

Article