Simple & Complex Liquids University of Ljubljana


Our research group is interested in physico-chemical aspects of condensed systems. We aim to provide a better understanding of simple and complex liquids and solution through a combination of simulations, theory, and experiment. We are mainly intersted in water and aqueous solutions of hydrophobic and ionic solutes (simple electrolytes, synthetic polyelectrolytes, proteins). We are a part of the Chair of Physical Chemistry at Faculty of Chemistry and Chemical Technology (University of Ljubljana, Ljubljana, Slovenia).



Group Members:

  • Barbara Hribar-Lee


  • Miha Lukšič

    Associate Professor

  • Miha Kastelic

    Former PhD student (now at Kemijski inštitut)
    Theory of protein aggregtion

  • Jurij Reščič


  • Sandi Brudar

    PhD student
    Experiments and theroy on protein-protein interactions

  • Tomaž Mohorič

    Former PhD student (now at Krka, d.d.)
    Effect of microwaves on aqueous solutions, dynamics of magnetic colloids

  • Vojko Vlachy


  • Matjaž Simončič

    PhD student
    Experiment and theory of macromolecules in solution

  • Tadeja Janc

    Former PhD student (now at UPMC, Paris)
    Experiments on protein aggregation



Journal of Molecular Liquids Special Issue

From simple liquids to macromolecular solutions: recent experimental and theoretical developments. In Honor of the 70th birthday of Vojko Vlachy

Volume 228, Pages 1-246 (February 2017)

From the editorial:
The papers in this special issue of the Journal of Molecular Liquids have been submitted with the dedication to Prof. Vojko Vlachy on the occasion of his 70th birthday. Vojko Vlachy is today known as one of the leading scientists in the physical chemistry of water and liquids, his theoretical and experimental work has focused mainly on electrolyte and polyelectrolyte solutions, particularly including proteins and colloids. During his career he has, and still is collaborating with prominent scientist from around the world. As such, this special issue is a collection of papers coming from different research groups, reporting on recent experimental and theoretical developments in the area of simple liquids and macromolecular solutions.

On behalf of the Editorial Board of J. Mol. Liq., as well as personally, we wish Vojko a generous source of new ideas, plentiful scientific results and good health for many years to come! We also express our gratitude to the contributors of this special issue.

Ken A. Dill, Myroslav F. Holovko, Barbara Hribar-Lee, and Natalie Malikova

(February, 2017)

Paper in Chemical Reviews

How Water’s Properties Are Encoded in Its Molecular Structure and Energies

Emiliano Brini, Christopher J. Fennell, Marivi Fernandez-Serra, Barbara Hribar-Lee, Miha Lukšič, and Ken A. Dill

Chem. Rev. 2017, 117 (19), 12385-12414, DOI: 10.1021/acs.chemrev.7b00259

How are water’s material properties encoded within the structure of the water molecule? This is pertinent to understanding Earth’s living systems, its materials, its geochemistry and geophysics, and a broad spectrum of its industrial chemistry. Water has distinctive liquid and solid properties: It is highly cohesive. It has volumetric anomalies—water’s solid (ice) floats on its liquid; pressure can melt the solid rather than freezing the liquid; heating can shrink the liquid. It has more solid phases than other materials. Its supercooled liquid has divergent thermodynamic response functions. Its glassy state is neither fragile nor strong. Its component ions—hydroxide and protons—diffuse much faster than other ions. Aqueous solvation of ions or oils entails large entropies and heat capacities. We review how these properties are encoded within water’s molecular structure and energies, as understood from theories, simulations, and experiments. Like simpler liquids, water molecules are nearly spherical and interact with each other through van der Waals forces. Unlike simpler liquids, water’s orientation-dependent hydrogen bonding leads to open tetrahedral cage-like structuring that contributes to its remarkable volumetric and thermal properties.

JCR (2017): Impact factor = 52.613, DY (chemistry, multidisciplinary) = 1/171

(September 27th, 2017)

Guest Editors Journal of Physical Chemistry B

Ken A. Dill Festschrift special issue.

Volume 122, Issue 21, Pages 5261-5726 (May 31, 2018)

From the editorial:
It is our privilege and a great pleasure to honor professor Ken A. Dill with this special issue of The Journal of Physical Chemistry B on the occasion of his 70th birthday that he celebrated in December 2017, as well as for his wide-ranging contributions to science. This is our way of thanking him for all that he has taught us throughout these years, and of wishing him many more years of scientific discoveries.

This special issue was organized by Guest Editors Barbara Hribar-Lee, Evangelos Coutsias, Miha Lukšič, and Chaok Seok.

(January, 2019)

Recent Publications


  • Aggregation, liquid–liquid phase separation, and percolation behaviour of a model antibody fluid constrained by hard-sphere obstacles
  • T. Hvozd, Yu. V. Kalyuzhnyi, V. Vlachy
  • Soft Matter X, X (2020)
  • (DOI: 10.1039/D0SM01014F)
  • Effect of pressure increase on macromolecules' adsorption in ion exchange chromatography
  • A. Kristl, M. Lukšič, M. Pompe, A. Podgornik
  • Anal. Chem. 92, 4527-4534 (2020)
  • (DOI: 10.1021/acs.analchem.9b05729 )
  • Flexible electrochromic tape using steel foil with WO3 thin film
  • M. Rozman, B. Žener, L. Matoh, R. Fuchs-Godec, A. Mourtzikou, E. Stathatos, U. Bren, M. Lukšič
  • Electrochim. Acta 330, 135329 (2020)
  • (DOI: 10.1016/j.electacta.2019.135329)


  • An inverted sandwich electrochromic device architecture does not require optically transparent electrodes
  • M. Rozman, M. Gaberšček, G. Marolt, U. Bren, M. Lukšič
  • Adv. Mater. Technol. 4, 1-9 (2019)
  • (DOI: 10.1002/admt.201900389)
  • Carboxylated carbon nanotubes can serve as pathways for molecules in sandwich-like two-phase organic-water systems
  • M. Druchok, M. Lukšič
  • J. Mol. Liq. 291, 1-11 (2019)
  • (DOI: 10.1016/j.molliq.2019.111287)
  • The role of buffers in wild-type HEWL amyloid fibril formation mechanism
  • S. Brudar, B. Hribar-Lee
  • Biomolecules 9, 1-18 (2019)
  • (DOI: 10.3390/biom9020065)
  • Influence of added salt on the surface induced ordering of nanoparticles with discretely distributed charges
  • K. Bohinc, J. Reščič, S. Spada, S. May, S. Maset
  • J. Mol. Liq. 294, 1-7 (2019)
  • (DOI: 10.1016/j.molliq.2019.111134)
  • Thermodynamic perturbation theory for a valence-limited model of colloidal systems
  • O. Stepanenko, A. Jamnik, J. Reščič, Yu. V. Kalyuzhnyi
  • Mol. Phys. 117, 3695-3702 (2019)
  • (DOI: 10.1080/00268976.2019.1662124)


  • Ion-specificity and surface water dynamics in protein solutions
  • T. Janc, M. Lukšič, V. Vlachy, B. Rigaud, A.-L. Rollet, J.-P. Korb, G. Mériguet, N. Malikova
  • Phys. Chem. Chem. Phys. 20, 30340-30350 (2018)
  • (DOI: 10.1039/C8CP06061D)
  • Theory for the liquid-liquid phase separation in aqueous antibody solutions
  • M. Kastelic, V. Vlachy
  • J. Phys. Chem. B 122, 5400-5408 (2018)
  • (DOI: 10.1021/acs.jpcb.7b11458)
  • Replica Ornstein-Zernike theory applied for studying the equilibrium distribution of electrolytes across model membranes
  • B. Hribar-Lee, M. Lukšič
  • J. Phys. Chem. B 122, 5500-5507 (2018)
  • (DOI: 10.1021/acs.jpcb.7b11791)
  • DNA-polyelectrolyte complexation study: The effect of polyion charge density and chemical nature of the counterions
  • M. Seručnik, Č. Podlipnik, B. Hribar-Lee
  • J. Phys. Chem. B 122, 5381-5388 (2018)
  • (DOI: 10.1021/acs.jpcb.7b11094)
  • Carboxylated carbon nanotubes corked with tetraalkylammonium cations: A concept of nanocarriers in aqueous solutions
  • M. Druchok, M. Lukšič
  • J. Mol. Liq. 270, 203-211 (2018)
  • (DOI: 10.1016/j.molliq.2017.11.107)
  • The influence of the poly(ethylene glycol) on the mean activity coefficients of NaCl aqueous solutions. The application of the MSA and HNC method
  • M. Lukšič, E. Slejko, B. Hribar-Lee
  • J. Mol. Liq. 270, 40-45 (2018)
  • (DOI: 10.1016/j.molliq.2017.11.002)
  • Calorimetric studies of interactions between low molecular weight salts and bovine serum albumin in water at pH values below and above the isoionic point
  • T. Janc, V. Vlachy, M. Lukšič
  • J. Mol. Liq. 270, 74-80 (2018)
  • (DOI: 10.1016/j.molliq.2017.10.105)
  • Primitive models of room temperature ionic liquids. Liquid-gas phase coexistence
  • Y. V. Kalyuzhnyi, J. Reščič, M. Holovko, P. T. Cummings
  • J. Mol. Liq. 270, 7-13 (2018)
  • (DOI: 10.1016/j.molliq.2018.01.109)
  • Electrochromic cell with hydrogel-stabilized water-based electrolyte using electrodeposition as a fast color changing mechanism
  • M. Rozman, U. Bren, M. Lukšič, R. Fuchs-Godec, G. Bokias, A. N. Kalarakis, E. Stathatos
  • Electrochim. Acta 283, 1105-1114 (2018)
  • (DOI: 10.1016/j.electacta.2018.07.052)
  • Reappearance of slow mode in mixtures of polyethylene glycol and poly(sodium methacrylate)
  • K. Kogej, J. Štirn, J. Reščič
  • Soft Matter 14, 5039-5047 (2018)
  • (DOI: 10.1039/C8SM00473K)


  • Modelling the correlation between molecular electrostatic potential and pKa on sets of carboxylic acids, phenols and anilines
  • M. Virant, S. Drvarič Talian, Č. Podlipnik, B. Hribar-Lee
  • Acta Chim. Slov. 64, 560-563 (2017)
  • (DOI: 10.17344/acsi.2016.2962)
  • How water’s properties are encoded in its molecular structure and energies
  • E. Brini, C. J. Fennell, M. Fernandez-Serra, B. Hribar-Lee, M. Lukšič, and K. A. Dill
  • Chem. Rev. 117, 12385-12414 (2017)
  • (DOI: 10.1021/acs.chemrev.7b00259)
  • Electrochromic properties of thin nanocrystalline TiO2 films coated electrodes with adsorbed Co(II) or Fe(II) 2,2'-bipyridine complexes
  • M. Rozmana, J. Cerara, M. Lukšič, M. Uršič, A. Mourtzikou, H. Spreizer, I. Kozjek Škofic, and E. Stathatos
  • Electrochim. Acta 238, 278-287 (2017)
  • (DOI: 10.1016/j.electacta.2017.04.030)
  • Controlling the viscosities of antibody solutions through control of their binding sites
  • M. Kastelic, K. A. Dill, Y. V. Kalyuzhnyi, and V. Vlachy
  • J. Mol. Liq. 270, 234-242 (2018)
  • (DOI: 10.1016/j.molliq.2017.11.106)
  • Electrostatic adsorption and orientational order of inhomogeneously charged particles on flat surfaces.
  • K. Bohinc, J. Reščič, and S. May
  • J. Mol. Liq. 228, 201-207 (2017)
  • (DOI: 10.1016/j.molliq.2016.10.087)
  • Volumetric and calorimetric properties of aqueous ionene solutions.
  • M. Lukšič, and B. Hribar-Lee
  • J. Mol. Liq. 228, 126-132 (2017)
  • (DOI: 10.1016/j.molliq.2016.09.043)
  • Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study.
  • M. Lukšič, B. Hribar-Lee, and O. Pizio
  • J. Mol. Liq. 228, 4-10 (2017)
  • (DOI: 10.1016/j.molliq.2016.10.030)


  • Modeling phase transitions in mixtures of β-γ lens crystallins.
  • M. Kastelic, Y. V. Kalyuzhnyi, and V. Vlachy
  • Soft matter 12 (35), 7289-7298 (2016)
  • (DOI: 10.1039/C6SM01513A)
  • Interactions between charged surfaces mediated by stiff, multivalent zwitterionic polymers.
  • K. Bohinc, J. Reščič, and L. Lue
  • Soft matter 12 (19), 4397-4405 (2016)
  • (DOI: 10.1039/C6SM00236F)
  • Shielded attractive shell model again: resummed thermodynamic perturbation theory for central force potential.
  • J. Reščič, Y. V. Kalyuzhnyi, and P. T. Cummings
  • J. Phys.: Condens. Matter. 28 (41), 1-10 (2016)
  • (DOI: 10.1088/0953-8984/28/41/414011)
  • Effect of excluded volume and chain flexibility on depletion interaction between proteins.
  • J. Reščič
  • J. Mol. Liq. 219, 728-736 (2016)
  • (DOI: 10.1016/j.molliq.2016.03.070)
  • Explicit-water theory for the salt-specific effects and Hofmeister series in protein solutions
  • Y. V. Kalyuzhnyi, and V. Vlachy
  • J. Chem. Phys 144 (21), 215101-1-7 (2016)
  • (DOI: 10.1063/1.4953067)
  • Counter-ion binding and mobility in the presence of hydrophobic polyions – combining molecular dynamics simulations and NMR
  • M. Druchok, N. Malikova, A.-L. Rollet, and V. Vlachy
  • AIP Advances 6 (6), 065214 (2016)
  • (DOI: 10.1063/1.4954292)
  • Dynamic assembly of magnetic colloidal vortices
  • T. Mohorič, G. Kokot, N. Osterman, A. Snezhko, A. Vilfan, D. Babič, and J. Dobnikar
  • Langmuir 32 (20), 5094-5101 (2016)
  • (DOI: 10.1021/acs.langmuir.6b00722)
  • Two-dimensional magnetic colloids under shear
  • T. Mohorič, J. Dobnikar, and J. Horbach
  • Soft Matter 12 (13), 3142-3148 (2016)
  • (DOI: 10.1039/C6SM00023A)
  • Cavity-ligand binding in a simple two-dimensional water model
  • G. Mazovec, M. Lukšič, and B. Hribar-Lee
  • Cond. Matt. Phys. 19 (1), 1-6 (2016)
  • (DOI: DOI:10.5488/CMP.19.13004)
  • Salt-specific effects in lysozyme solutions
  • T. Janc, M. Kastelic, M. Bončina, and V. Vlachy
  • Cond. Matt. Phys. 19 (2), 1-12 (2016)
  • (DOI: 10.5488/CMP.19.23601)
  • Fluid of fused spheres as a model for protein solution
  • M. Kastelic, Y. Kalyuzhnyi, and V. Vlachy
  • Cond. Matt. Phys. 19 (2), 1-12 (2016)
  • (DOI: 10.5488/CMP.19.23801)


  • Electrolyte solution at zwitterionic lipid layer
  • J. Reščič, and K. Bohinc
  • Acta Chim. Slov. 62 (3), 582-587 (2015)
  • (DOI: 10.1063/1.4939085.)
  • Fast rotational motion of water molecules increases ordering of hydrophobes and may cause hydrophobic chains to collapse
  • T. Mohorič, U. Bren, and V. Vlachy
  • J. Chem. Phys. 143 (24), 1-8 (2015)
  • (DOI: 10.1063/1.4939085.)
  • Effects of translational and rotational degrees of freedom on the hydration of ionic solutes as seen by the popular water models
  • T. Mohorič, U. Bren, and V. Vlachy
  • Acta Chim. Slov. 62 (3), 489-497 (2015)
  • (DOI:
  • Protein aggregation in salt solutions
  • M. Kastelic, Yu. V. Kalyuzhnyi, B. Hribar-Lee, K. A. Dill, and V. Vlachy
  • Proc. Natl. Acad. Sci. 112 (21), 6766-6770 (2015)
  • (DOI: 10.1073/pnas.1507303112)
  • On the crossroads of current polyelectrolyte theory and counterion-specific effects
  • N. Malikova, A.-L. Rollet, S. Čebašek, M. Tomšič, and V. Vlachy
  • Phys. Chem. Chem. Phys. 17 (8), 5650-5658 (2015)
  • (DOI: 10.1039/C4CP05469E)
  • Effects of translational and rotational degrees of freedom on the properties of model water
  • T. Mohorič, B. Hribar-Lee, and V. Vlachy
  • Cond. Matt. Phys. 18 (1), 13004-1-9 (2015)
  • (DOI: 10.5488/CMP.18.13004)
  • MOLSIM : a modular molecular simulation software
  • J. Reščič, and P. Linse
  • J. Comp. Chem. 36 (16), 1259-1274 (2015)
  • (DOI: 10.1002/jcc.23919)
  • In silico study of plant polyphenols' interactions with VP24-ebola virus matrix protein
  • S. Pleško, H. Volk, M. Lukšič, Č. Podlipnik
  • Acta. Chim. Slov. 62 (2), xxx-xxx (2015)
  • (DOI: 10.17344/acsi.2015.1505)


  • Thermodynamic analysis of the interaction of partially hydrophobic cationic polyelectrolytes with sodium halide salts in water
  • M. Bončina, M. Lukšič, M. Seručnik, and V. Vlachy
  • Mol. Phys. 112 (9/10), 1222-1229 (2014)
  • (DOI: 10.1080/00268976.2013.871365)
  • Model for a mixture of macroions, counterions, and co-ions in a waterlike fluid
  • Yu. V. Kalyuzhnyi, and V. Vlachy
  • Phys. Rev. E 90 (12), 012308-1-7 (2014)
  • (DOI: 10.1103/PhysRevE.90.012308)
  • Effects of translational and rotational degrees of freedom on the hydration of simple solutes
  • T. Mohorič, B. Hribar-Lee, and V. Vlachy
  • J. Chem. Phys. 140 (18), 184510-1-7 (2014)
  • (DOI: 10.1063/1.4875280)
  • Tuning the hydrophobic interaction : ultrafast optical Kerr effect study of aqueous ionene solutions
  • F. Palombo, A. I. Heisler, B. Hribar-Lee, and S. R. Meech
  • J. Phys. Chem. B 140 (18), 184510-1-7 (2014)
  • (DOI: 10.1021/jp506701a)
  • An investigation of ion-pairing of alkali metal halides in aqueous solutions using the electrical conductivity and the Monte Carlo computer simulation methods
  • J. Gujt, M. Bešter-Rogač, and B. Hribar-Lee
  • J. Mol. Liq. 190 (1), 34-41 (2014)
  • (DOI: 10.1016/j.molliq.2013.09.025)
  • The application of the integral equation theory to study the hydrophobic interaction
  • T. Mohorič, T. Urbič, and B. Hribar-Lee
  • J. Chem. Phys. 140 (1), 024502-1-6 (2014)
  • (DOI: 10.1063/1.4858398)
  • Experimental and theoretical study of the silica particle interactions in the presence of multivalent rod-like ions
  • J. Reščič, D. Kovačevič, M. Tomšič, A. Jamnik, S. Ahualli, and K. Bohinc
  • Langmuir 30 (32), 9717-9725 (2014)
  • (DOI: 10.1021/la501683t)
  • Using interpolation for fast and accurate calculation of ion-ion interactions
  • M. Lukšič, C. Fennel, and K. A. Dill
  • J. Phys. Chem. B 30 (32), 9717-9725 (2014)
  • (DOI: 10.1021/jp501141j)


  • Presence of hydrophobic groups may modify the specific ion effect in aqueous polyelectrolyte solutions
  • S. Čebašek, M. Seručnik, and V. Vlachy
  • J. Phys. Chem. B 117 (13), 3682-3688 (2013)
  • (DOI: 10.1021/jp401313f)
  • On thermodynamics and mobility of ions enclosed within charged nanoporous system
  • B. Hribar-Lee, M. Jardat, and V. Vlachy
  • Eur. Phys. J. 216 (1), 95-105 (2013)
  • (DOI: 10.1140/epjst/e2013-01732-4)
  • Interaction of the model alkyltrimethylammonium ions with alkali halide salts : an explicit water molecular dynamics study
  • M. Druchok, Č. Podlipnik and V. Vlachy
  • Cond. Matt. Phys. 16 (4), 43603-1-10 (2013)
  • (DOI: 10.5488/CMP.16.43603)
  • Influence of the hydrophobic groups and the nature of counterions on ion-binding in aliphatic ionene solutions
  • P. Rodič, M. Bratuša, M. Lukšič, V. Vlachy, and B. Hribar-Lee
  • Coll. and Surf. 424 (1), 18-25 (2013)
  • (DOI: 10.1016/j.colsurfa.2013.02.021)
  • Structure and thermodynamics of the primitive model electrolyte in a charged matrix : the evaluation of the Madden-Glandt approximation
  • M. Lukšič, and B. Hribar-Lee
  • Cond. Matt. Phys. 16 (4), 43803-1-8 (2013)
  • (DOI: 10.5488/CMP.16.43803)
  • Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results
  • B. Hribar-Lee, and O. Pizio
  • Cond. Matt. Phys. 16 (4), 43607-1-10 (2013)
  • (DOI: 10.5488/CMP.16.43607)
  • The application of the thermodynamic perturbation theory to study the hydrophobic hydration
  • T. Mohorič, T. Urbič, and B. Hribar-Lee
  • J. Chem. Phys. 139 (2), 024101-1-6 (2013)
  • (DOI: 10.1063/1.4812744)
  • Recycling of uranyl from contaminated water
  • K. Bohinc, J. Reščič, J.-F. Dufreche, and L. Lue
  • J. Phys. Chem. B 117 (37), 10846-10851 (2013)
  • (DOI: 10.1021/jp404822f)
  • Diffusion of D-glucose measured in the cytosol of a single astrocyte
  • M. Kreft, M. Lukšič, T. M. Zorec, M. Prebil, R. Zorec
  • Cell. Mol. Life Sci. 70 (8), 1483-1492 (2013)
  • (DOI: 10.1007/s00018-012-1219-7)


  • Structural and thermodynamical properties of charged hard spheres in a mixture with core-softened model solvent
  • M. Lukšič, B. Hribar-Lee, V. Vlachy, and O. Pizio
  • J. Chem. Phys. 137 (24), 244502-1-10 (2012)
  • (DOI: 10.1063/1.4772582)
  • Specific counter-ion and co-ion effects revealed in mixing of aqueous solutions of 3,3 and 6,6-ionenes with solutions of low molecular weight salts
  • M. Seručnik, M. Bončina, M. Lukšič, and V. Vlachy
  • Phys. Chem. Chem. Phys. 14 (19), 6805-6811 (2012)
  • (DOI: 10.1039/C2CP40571G)
  • Self-diffusion of ions in charged nanoporous media
  • M. Jardat, B. Hribar-Lee, and V. Vlachy
  • Soft Matter 8 (4), 954-964 (2012)
  • (DOI: 10.1039/c1sm05985h)
  • Self-diffusion and activity coefficients of ions in charged disordered media
  • M. Jardat, B. Hribar-Lee, V. Dahirel, and V. Vlachy
  • J. Chem. Phys. 137 (11), 114507-1-9 (2012)
  • (DOI: 10.1063/1.4752111)
  • Modelling the ion-exchange equilibrium in nanoporous materials
  • M. Lukšič, V. Vlachy and B. Hribar-Lee
  • Cond. Matt. Phys. 15 (2), 23802-1-2 (2012)
  • (DOI: 10.5488/CMP.15.23802)
  • Isothermal titration calorimetry and molecular dynamics study of ion-selectivity in mixtures of hydrophobic polyelectrolytes with sodium halides in water
  • M. Lukšič, M. Bončina, V. Vlachy, and M. Druchok
  • Phys. Chem. Chem. Phys. 14 (6), 2024-2038 (2012)
  • (DOI: 10.1039/C2CP23137A)
  • Explicit water molecular dynamics study of the mobility of halide ions in presence of ionene oligocations
  • M. Druchok, M. Lukšič, and V. Vlachy
  • J. Chem. Phys. 137 (1), 014511-1-8 (2012)
  • (DOI: 10.1063/1.4731718)
  • Aqueous solutions of ionenes : interactions and counterion specific effects as seen by neutron scattering
  • N. Malikova, S. Čebašek, V. Glenisson, D. Bhowmik, G. Carrot, and V. Vlachy
  • Phys. Chem. Chem. Phys. 14 (37), 12898-12904 (2012)
  • (DOI: 10.1039/C2CP41859B)
  • Thermodynamics of asymmetric primitive model electrolytes via the hypernetted chain approximation
  • T. Mohorič, M. Lukšič, and B. Hribar-Lee
  • Acta Chim. Slov. 59 (3), 490-502 (2012)
  • Solvent primitive model for electrolyte solutions in disordered porous matrices of charged species. Replica Ornstein-Zernike theory and grand canonical Monte Carlo simulations
  • M. Lukšič, S. Baleon Tochimani, and O. Pizio
  • Mol. Phys. 110 (1), 17-30 (2012)
  • (DOI: 10.1080/00268976.2011.631057)
  • Simple model of hydrophobic hydration
  • M. Lukšič, T. Urbič, B. Hribar-Lee, and K. A. Dill
  • J. Phys. Chem. B 116 (21), 6177-6186 (2012)
  • (DOI: 10.1021/jp300743a)
  • The application of the replica Ornstein-Zernike methodology for studying ionic membrane equilibria
  • B. Hribar-Lee
  • Acta Chim. Slov. 59 (3), 528-535 (2012)
  • Attraction between like-charged surfaces : effect of counterion dimerization
  • J. Reščič, and K. Bohinc
  • Acta Chim. Slov. 59 (3), 601-608 (2012)


  • Thermodynamics of dilution and the Hofmeister series in aqueous solutions of aliphatic ionenes with halide counterions
  • S. Čebašek, M. Lukšič, C. Pohar, and V. Vlachy
  • J. Chem. Eng. Data 56 (4), 1282-1292 (2011)
  • (DOI: 10.1021/je101136a)
  • Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data
  • E. Gutierrez-Valladares, M. Lukšič, B. Millan-Malo, B. Hribar-Lee, and V. Vlachy
  • Cond. Matt. Phys. 14 (3), 33003-1-15 (2011)
  • (DOI: 10.5488/CMP.14.33003)
  • Ion-specific and charge effects in counterion binding to poly(styrenesulfonate) anions
  • J. Pozar, K. Bohinc, V. Vlachy, and D. Kovačevič
  • Phys. Chem. Chem. Phys. 13 (34), 15610-15618 (2011)
  • (DOI: 10.1039/C1CP21291E )
  • Correlation between flexibility of chain-like polyelectrolyte and thermodynamic properties of its solution
  • T. Sajevic, J. Reščič, and V. Vlachy
  • Cond. Matt. Phys. 14 (3), 33603-1-14 (2011)
  • (DOI: 10.5488/CMP.14.33603)
  • Structural and thermodynamic properties of the restricted primitive model electrolyte in a mixture with uncharged hard spheres : a grand canonical Monte Carlo simulation and integral equation study
  • M. Lukšič, B. Hribar-Lee, and O. Pizio
  • Mol. Phys. 109 (6), 839-904 (2011)
  • (DOI: 10.1080/00268976.2011.558029)
  • Debye-Hueckel theory for mixtures of rigid rodlike ions and salt
  • K. Bohinc, J. Reščič, S. Maset, and S. May
  • J. Chem. Phys. 134 (7), 074111-1-9 (2011)
  • (DOI: 10.1063/1.3552226)
  • Partly-quenched systems containing charges. Structure and dynamics of ions in nanoporous materials
  • B. Hribar-Lee, M. Lukšič, V. Vlachy
  • Annu. Rep. Prog. Chem., Sect. C: Phys. Chem. 107 (1), 14-46 (2011)
  • (DOI: 10.1039/C1PC90001C)


  • Thermodynamics of the lysozyme-salt interaction from calorimetric titrations
  • M. Bončina, J. Reščič, and V. Vlachy
  • J. Phys. Chem. B 114 (12), 4313-4319 (2010)
  • (DOI: 10.1021/jp9071845)
  • Receptacle model of salting-in by tetramethylammonium ions
  • B. Hribar-Lee, K. A. Dill, and V. Vlachy
  • J. Phys. Chem. B 114 (46), 15085-15091 (2010)
  • (DOI: 10.1021/jp108052r)
  • Molecular dynamics study of the hydrophobic 6,6-ionene oligocation in aqueous solution with sodium halides
  • M. Druchok, and V. Vlachy
  • Pure and App. Chem. B 82 (10), 1943-1955 (2010)
  • (DOI: 10.1351/PAC-CON-09-10-41)
  • Mean activity coefficient of a simple electrolyte, dissolved in the presence of an arbitrary number of cosolute components
  • V. Vlachy. B. Hribar-Lee, and L. B. Bhuiyan
  • J. Chem. Eng. Data 55 (5), 1855-1859 (2010)
  • (DOI: 10.1021/je900873v)
  • Interplay of ion-specific and charge-density effects in aqueous solutions of weakly charged ionenes as revealed by electric-transport measurements
  • M. Lukšič, B. Hribar-Lee, and V. Vlachy
  • J. Phys. Chem. B 114 (32), 10401-10408 (2010)
  • (DOI: 10.1021/jp105301m)
  • Interplay of ion-specific and charge-density effects in aqueous solutions of weakly charged ionenes as revealed by electric-transport measurements
  • M. Lukšič, B. Hribar-Lee, and V. Vlachy
  • J. Phys. Chem. B 114 (32), 10401-10408 (2010)
  • (DOI: 10.1021/jp105301m)
  • Aqueous alkali halide solutions : can osmotic coefficients be explained on the basis of the ionic sizes alone?
  • Yu. V. Kalyuzhnyi, V. Vlachy, and K. A. Dill
  • Phys. Chem. Chem. Phys. 12 (23), 6260-6266 (2010)
  • (DOI: 10.1039/b924735a)
  • Activity coefficients of an electrolyte in a mixture with a high density neutral component
  • C. W. Outhwaite, L. B. Bhuiyan, V. Vlachy, and B. Hribar-Lee
  • J. Chem. Eng. Data 55 (10), 4248-4254 (2010)
  • (DOI: 10.1021/je100394d)