Publications

Publications

77. SLEJKO, Ema, HRIBAR-LEE, Barbara. The effect of macromolecular crowders on dielecric constant of aqueous electrolyte solutions. Journal of molecular liquids, 2021, vol. 336, 116295, DOI: 10.1016/j.molliq.2021.116295.

76. BRUDAR, Sandi, HRIBAR-LEE, Barbara. Effect of buffer on protein stability in aqueous solutions : a simple protein aggregation model. The journal of physical chemistry. B, 2021, vol. 125, 2504-2512, DOI: 10.1021/acs.jpcb.0c10339.

75. BRUDAR, Sandi, GUJT, Jure, SPOHR, Eckhard, HRIBAR-LEE, Barbara. Studying the mechanism of phase separation in aqueous solutions of globular proteins via molecular dynamics computer simulations. PCCP. Physical chemistry chemical physics, 2021, vol. 23, 415-424, DOI: 10.1039/D0CP05160H.

74. BRUDAR, Sandi, HRIBAR-LEE, Barbara. The role of buffers in wild-type HEWL amyloid fibril formation mechanism. Biomolecules, 2019, vol. 9, 1-18, ilustr. DOI: 10.3390/biom9020065.

73. LUKŠIČ, Miha, SLEJKO, Ema, HRIBAR-LEE, Barbara. The influence of the poly(ethylene glycol) on the mean activity coefficients of NaCl aqueous solutions. The application of the MSA and HNC method. Journal of molecular liquids, 2018, vol. 270, 40-45, DOI: 10.1016/j.molliq.2017.11.002.

72. SERUČNIK, Mojca, PODLIPNIK, Črtomir, HRIBAR-LEE, Barbara. DNA-polyelectrolyte complexation study : the effect of polyion charge density and chemical nature of the counterions. The journal of physical chemistry. B, 2018, vol. 122, 5381-5388, DOI: 10.1021/acs.jpcb.7b11094.

71. HRIBAR-LEE, Barbara, LUKŠIČ, Miha. Replica Ornstein-Zernike theory applied for studying the equilibrium distribution of electrolytes across model membranes. The journal of physical chemistry. B, 2018, 122, 5500-5507, DOI: 10.1021/acs.jpcb.7b11791.

70. HRIBAR-LEE, Barbara, SEOK, Chaok, COUTSIAS, Evangelos, LUKŠIČ, Miha. Tribute to Ken A. Dill. The journal of physical chemistry. B, 2018, vol. 122, 5261-5262, DOI: 10.1021/acs.jpcb.8b02470.

69. VIRANT, Miha, DRVARIČ TALIAN, Sara, PODLIPNIK, Črtomir, HRIBAR-LEE, Barbara. Modelling the correlation between molecular electrostatic potential and pKa on sets of carboxylic acids, phenols and anilines. Acta chimica slovenica, 2017, 64, 560-563, DOI: 10.17344/acsi.2016.2962.

68. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, PIZIO, Orest. Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study. Journal of molecular liquids, 2017, vol. 228, 4-10, DOI: 10.1016/j.molliq.2016.10.030.

67. LUKŠIČ, Miha, HRIBAR-LEE, Barbara. Volumetric and calorimetric properties of aqueous ionene solutions. Journal of molecular liquids, 2017, vol. 228, 126-132, DOI: 10.1016/j.molliq.2016.09.043.

66. BRINI, Emiliano, FENNELL, Christopher J., FERNANDEZ-SERRA, Marivi, HRIBAR-LEE, Barbara, LUKŠIČ, Miha, DILL, Ken A. How water’s properties are encoded in its molecular structure and energies. Chemical reviews, 2017, vol. 117, 12385-12414, DOI: 10.1021/acs.chemrev.7b00259.

65. DILL, Ken A., HOLOVKO, Myroslav, HRIBAR-LEE, Barbara, MALIKOVA, Natalie. The scientific life of Vojko Vlachy. Journal of molecular liquids, 2017, vol. 228, 1-3, DOI: 10.1016/j.molliq.2016.11.073.

64. MAZOVEC, G., LUKŠIČ, Miha, HRIBAR-LEE, Barbara. Cavity-ligand binding in a simple two-dimensional water model. Condensed matter physics, 2016, vol. 19, 1-6, DOI: 10.5488/CMP.19.13004.

63. HRIBAR-LEE, Barbara. Nobelova nagrada za kemijo za leto 2016 je bila podeljena za molekulske stroje. Proteus, 2016, vol. 79, 174-178.

62. MOHORIČ, Tomaž, HRIBAR-LEE, Barbara, VLACHY, Vojko. Effects of translational and rotational degrees of freedom on the properties of model water. Condensed matter physics, 2015, 18, 13004, DOI: 10.5488/CMP.18.13004.

61. PALOMBO, Francesca, HEISLER, Ismael A., HRIBAR-LEE, Barbara, MEECH, Stephen R. Tuning the hydrophobic interaction : ultrafast optical Kerr effect study of aqueous ionene solutions. The journal of physical chemistry. B, 2015, vol. 119, 8900-8908, DOI: 10.1021/jp506701a.

60. KASTELIC, Miha, KALYUZHNYI, Yurij V., HRIBAR-LEE, Barbara, DILL, Ken A., VLACHY, Vojko. Protein aggregation in salt solutions. Proceedings of the National Academy of Sciences of the United States of America, 2015, vol. 112, 6766-6770, DOI: 10.1073/pnas.1507303112.

59. MOHORIČ, Tomaž, URBIČ, Tomaž, HRIBAR-LEE, Barbara. The application of the integral equation theory to study the hydrophobic interaction. The Journal of chemical physics, 2014, vol. 140, 024502, DOI: 10.1063/1.4858398.

58. MOHORIČ, Tomaž, HRIBAR-LEE, Barbara, VLACHY, Vojko. Effects of the translational and rotational degrees of freedom on the hydration of simple solutes. The Journal of chemical physics, 2014, vol. 140, 184510, DOI: 10.1063/1.4875280.

57. GUJT, Jure, BEŠTER-ROGAČ, Marija, HRIBAR-LEE, Barbara. An investigation of ion-pairing of alkali metal halides in aqueous solutions using the electrical conductivity and the Monte Carlo computer simulation methods. Journal of molecular liquids, 2014, vol. 190, 34-41, DOI: 10.1016/j.molliq.2013.09.025.

56. HRIBAR-LEE, Barbara, VLACHY, Vojko. Polyelectrolytes : simulation. V: SAVINELL, Robert F. (ed.), KEN-ICHIRO, Ota (ed.), KREYSA, Gerhard (ed.). Encyclopedia of applied electrochemistry. New York: Springer, 2014, 1650-1655. http://link.springer.com/referenceworkentry/10.1007/978-1-4419-6996-5_24.

55. RODIČ, Peter, BRATUŠA, Marsel, LUKŠIČ, Miha, VLACHY, Vojko, HRIBAR-LEE, Barbara. Influence of the hydrophobic groups and the nature of counterions on ion-binding in aliphatic ionene solutions. Colloids and surfaces. A, Physicochemical and Engineering Aspects, 2013, vol. 424, 18-25, DOI: 10.1016/j.colsurfa.2013.02.021.

54. HRIBAR-LEE, Barbara, PIZIO, Orest. Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results. Condensed matter physics. 2013, vol. 16, 43607, DOI: 10.5488/CMP.16.43607.

53. LUKŠIČ, Miha, HRIBAR-LEE, Barbara. Structure and thermodynamics of the primitive model electrolyte in a charged matrix : the evaluation of the Madden-Glandt approximation. Condensed matter physics, 2013, vol. 16, 43803, DOI: 10.5488/CMP.16.43803.

52. HRIBAR-LEE, Barbara, JARDAT, Marie, VLACHY, Vojko. On thermodynamics and mobility of ions enclosed within charged nanoporous system. The European physical journal. Special topics, 2013, vol. 216, 95-105, DOI: 10.1140/epjst/e2013-01732-4.

51. MOHORIČ, Tomaž, URBIČ, Tomaž, HRIBAR-LEE, Barbara. The application of the thermodynamic perturbation theory to study the hydrophobic hydration. The Journal of chemical physics, 2013, vol. 139, 024101, DOI: 10.1063/1.4812744.

50. MOHORIČ, Tomaž, LUKŠIČ, Miha, HRIBAR-LEE, Barbara. Thermodynamics of asymmetric primitive model electrolytes via the hypernetted chain approximation. Acta chimica slovenica, 2012, vol. 59, 490-502, http://acta.chem-soc.si/59/59-3-490.pdf.

49. HRIBAR-LEE, Barbara. The application of the replica Ornstein-Zernike methodology for studying ionic membrane equilibria. Acta chimica slovenica, 2012, vol. 59, 528-535., http://acta.chem-soc.si/59/59-3-528.pdf.

48. LUKŠIČ, Miha, VLACHY, Vojko, HRIBAR-LEE, Barbara. Modelling the ion-exchange equilibrium in nanoporous materials. Condensed matter physics. 2012, vol. 15, 23802, DOI: 10.5488/CMP.15.23802.

47. JARDAT, Marie, HRIBAR-LEE, Barbara, DAHIREL, Vincent, VLACHY, Vojko. Self-diffusion and activity coefficients of ions in charged disordered media. The Journal of chemical physics, 2012, vol. 137, 114507 DOI: 10.1063/1.4752111.

46. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, VLACHY, Vojko, PIZIO, Orest. Structural and thermodynamical properties of charged hard spheres in a mixture with core-softened model solvent. The Journal of chemical physics, 2012, vol. 137, 244502, DOI: 10.1063/1.4772582.

45. LUKŠIČ, Miha, URBIČ, Tomaž, HRIBAR-LEE, Barbara, DILL, Ken A. Simple model of hydrophobic hydration. The journal of physical chemistry. B, 2012, vol. 116, 6177-6186, DOI: 10.1021/jp300743a.

44. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, BALEÓN TOCHIMANI, Sergio, PIZIO, Orest. Solvent primitive model for electrolyte solutions in disordered porous matrices of charged species. Replica Ornstein-Zernike theory and grand canonical Monte Carlo simulations. Molecular Physics, 2012, vol. 110, 17-30, DOI: 10.1080/00268976.2011.631057.

43. JARDAT, Marie, HRIBAR-LEE, Barbara, VLACHY, Vojko. Self-diffusion of ions in charged nanoporous media. Soft matter, 2012, vol. 8, 954-964, DOI: 10.1039/c1sm05985h.

42. GUTIÉRREZ-VALLADARES, E., LUKŠIČ, Miha, MILLÁN-MALO, B., HRIBAR-LEE, Barbara, VLACHY, Vojko. Primitive model electrolytes. A comparison of the HNC approximation for the activity coefficient with Monte Carlo data. Condensed matter physics, 2011, vol. 14, 33003, DOI: 10.5488/CMP.14.33003.

41. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, PIZIO, Orest. 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. Molecular Physics, 2011, vol. 109, 893-904, DOI: 10.1080/00268976.2011.558029.

40. HRIBAR-LEE, Barbara, LUKŠIČ, Miha, VLACHY, Vojko. Partly-quenched systems containing charges. Structure and dynamics of ions in nanoporous materials. Annual reports on the progress of chemistry. Sectin C, Physical chemistry, 2011, vol. 107, 14-46. DOI: 10.1039/C1PC90001C.

39. VLACHY, Vojko, HRIBAR-LEE, Barbara, BHUIYAN, Lutful B. Mean activity coefficient of a simple electrolyte, dissolved in the presence of an arbitrary number of cosolute components. Journal of chemical and engineering data, 2010, vol. 55, 1855-1859, DOI: 10.1021/je900873v.

38. OUTHWAITE, C. W., BHUIYAN, Lutful B., VLACHY, Vojko, HRIBAR-LEE, Barbara. Activity coefficients of an electrolyte in a mixture with a high density neutral component. Journal of chemical and engineering data, 2010, vol. 55, 4248-4254, DOI: 10.1021/je100394d.

37. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, VLACHY, Vojko. Interplay of ion-specific and charge-density effects in aqueous solutions of weakly charged ionenes as revealed by electric-transport measurements. The journal of physical chemistry. B, 2010, vol. 114, 10401-10408, DOI: 10.1021/jp105301m.

36. HRIBAR-LEE, Barbara, DILL, Ken A., VLACHY, Vojko. Receptacle model of salting-in by tetramethylammonium ions. The journal of physical chemistry. B, 2010, vol. 114, 15085-15091, DOI: 10.1021/jp108052r.

35. HRIBAR-LEE, Barbara, VLACHY, Vojko, DILL, Ken A. Modeling Hofmeister effects. Acta chimica slovenica, 2009, vol. 56, 196-202, http://acta.chem-soc.si/56/56-1-196.pdf.

34. LUKŠIČ, Miha, TREFALT, Gregor, HRIBAR-LEE, Barbara. Application of Replica Ornstein-Zernike equations in studies of the adsorption of electrolyte mixtures in disordered matrices of charged particles. Condensed matter physics, 2009, vol. 12, 717-724.

33. LUKŠIČ, Miha, BUCHNER, Richard, HRIBAR-LEE, Barbara, VLACHY, Vojko. Dielectric relaxation spectroscopy of aliphatic ionene bromides and fluorides in water : the role of the polyion’s charge density and the nature of the counterions. Macromolecules. 2009, vol. 42, 4337-4342, DOI: 10.1021/ma900097c.

32. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, BUCHNER, Richard, VLACHY, Vojko. Modelling fast mode dielectric relaxation of counterions in aqueous solutions of ionene bromides and fluorides. PCCP. Physical chemistry chemical physics, 2009, vol. 11, 10053-10058, DOI: 10.1039/b914938b.

31. DRUCHOK, Maksym, HRIBAR-LEE, Barbara, KRIENKE, H., VLACHY, Vojko. A molecular dynamics study of short-chain polyelectrolytes in explicit water : toward the origin of ion-specific effects. Chemical Physics Letters, 2008, vol. 450, 281-285.

30. JARDAT, Marie, HRIBAR-LEE, Barbara, VLACHY, Vojko. Self-diffusion coefficients of ions in the presence of charged obstacles. PCCP. Physical chemistry chemical physics, 2008, vol. 10, 449-457.

29. TREFALT, Gregor, HRIBAR-LEE, Barbara. Adsorption of electrolyte mixtures in disordered porous media. A Monte Carlo study. Acta chimica slovenica, 2007, vol. 54, 503-508, http://acta.chem-soc.si/54/54-3-503.pdf.

28. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, VLACHY, Vojko. Electrolyte rejection from charged nanoporous material. Acta chimica slovenica, 2007, vol. 54, 523-531, http://acta.chem-soc.si/54/54-3-523.pdf.

27. LUKŠIČ, Miha, HRIBAR-LEE, Barbara, VLACHY, Vojko. Electrolyte exclusion from charged adsorbent : replica Ornstein-Zernike theory and simulations. The journal of physical chemistry. B, 2007, vol. 111, 5966-5975.

26. HRIBAR-LEE, Barbara, DILL, Ken A. Modeling simple alcohols in two dimensions. Acta chimica slovenica, 2006, vol. 53, 257-263, http://acta.chem-soc.si/53/53-3-257.pdf.

25. HRIBAR-LEE, Barbara, VLACHY, Vojko. Thermodynamic properties of charge asymmetric mixed electrolytes in the primitive model. Journal of molecular liquids, 2005, vol. 118, 163-169.

24. DILL, Ken A., TRUSKETT, Thomas Michael, VLACHY, Vojko, HRIBAR-LEE, Barbara. Modeling water, the hydrophobic effect, and ion solvation. Annual review of biophysics and biomolecular structure, 2005, vol. 34, 173-199.

23. VLACHY, Vojko, HRIBAR-LEE, Barbara, REŠČIČ, Jurij, KALYUZHNYI, Yurij V. Macroions in solution : theory, experiment, and computer simulations. V: HENDERSON, Douglas (ed.), HOLOVKO, Myroslav (ed.), TROKHYMCHUK, Andrij (ed.). Ionic soft matter: modern trends in theory and applications : Proceedings of the NATO Advanced Research Workshop, NATO science series II: mathematics, physics and chemistry, Vol. 206. Dordrecht: Springer, 2005. 199-231.

22. VLACHY, Vojko, HRIBAR-LEE, Barbara, KALYUZHNYI, Yurij V., DILL, Ken A. Short-range interactions : from simple ions to polyelectrolyte solutions. Current opinion in colloid & interface science, 2004, vol. 9, 128-132.

21. HRIBAR-LEE, Barbara, VLACHY, Vojko, BHUIYAN, L. B., OUTHWAITE, C. W., MOLERO, M. Theory and simulation of electrolyte mixtures. Molecular Physics, 2003, vol. 101, 2969-2980.

20. DOMINGUEZ, Hugo, VLACHY, Vojko, HRIBAR-LEE, Barbara, PIZIO, Orest. Adsorption of electrolyte in a templated hard-sphere matrix. Predictions of the continuum replica Ornstein-Zernike approach. Physica. A, Statistical mechanics and its applications, 2003, vol. 324, 469-483.

19. SPOHR, E., HRIBAR-LEE, Barbara, VLACHY, Vojko. Mechanism of macroion-macroion clustering induced by the presence of trivalent counterions. The journal of physical chemistry. B, 2002, vol. 106, 2342-2348.

18. HRIBAR-LEE, Barbara, SOUTHALL, Noel T., VLACHY, Vojko, DILL, Ken A. How ions affect the structure of water. Journal of the American Chemical Society : JACS. 2002, vol. 124, 12302-12311.

17. HRIBAR-LEE, Barbara, VLACHY, Vojko, PIZIO, Orest. Chemical potential of the electrolyte adsorbed in porous media with charged obstacles : application of the continuum replica methodology. Molecular Physics, 2002, vol. 100, 3039-3103.

16. VLACHY, Vojko, HRIBAR-LEE, Barbara, PIZIO, Orest. Replica integral equation theory for partly quenched electrolyte mixtures. Physica. A, Statistical mechanics and its applications, 2002, vol. 314, 156-161.

15. HRIBAR-LEE, Barbara, VLACHY, Vojko, PIZIO, Orest. Equilibrium properties of a model electrolyte adsorbed in quenched disordered charged media: the ROZ theory and GCMC simulations. The journal of physical chemistry. B, 2001, vol. 105, 4727-4734.

14. HRIBAR-LEE, Barbara, VLACHY, Vojko. A monte carlo study of micellar solutions with a mixture of mono- and trivalent counterions. Langmuir, 2001, vol. 17, 2043-2046.

13. HRIBAR-LEE, Barbara, VLACHY, Vojko. Macroion-macroion correlations in the presence of divalent counterions. Effects of a simple electrolyte, Acta chimica slovenica, 2000, vol. 47, 123-131.

12. HRIBAR-LEE, Barbara, VLACHY, Vojko. Clustering of macroions in solutions of highly asymetric electrolytes. Biophysical journal, 2000, vol. 78, 694-698.

11. HRIBAR-LEE, Barbara, VLACHY, Vojko, BHUIYAN, L. B., OUTHWAITE, C. W. Ion distributions in a cylindrical capillary as seen by the modified Poisson-Boltzmann theory and Monte Carlo simulations. The journal of physical chemistry. B, 2000, vol. 104, 11522-11527.

10. HRIBAR-LEE, Barbara, VLACHY, Vojko. Macroion-macroion correlations in the presence of divalent counterions. The journal of physical chemistry. B, 2000, vol. 104, 4218-4221.

9. HRIBAR-LEE, Barbara, VLACHY, Vojko, PIZIO, Orest. Structural and thermodynamic properties of electrolyte solutions in hard-sphere confinment : predictions of the replica integral equation theory. The journal of physical chemistry. B, 2000, vol. 104, 4479-4488.

8. HRIBAR-LEE, Barbara, VLACHY, Vojko. Properties of polyelectrolyte solutions as determined by the charge of counterions. Revista de la Sociedad Química de México, 2000, vol. 44, 11-15.

7. HRIBAR-LEE, Barbara. Teoretične raziskave raztopin asimetričnih elektrolitov. Novice IJS, 2000, vol. 82, 9-11.

6. HRIBAR-LEE, Barbara, VLACHY, Vojko, TROKHYMCHUK, Andrij, PIZIO, Orest. Structure and thermodynamics of asymetric electrolytes adsorbed in disordered electroneutral charged matrices from replica Ornstein-Zernike equations. The journal of physical chemistry. B, 1999, vol. 103, 5361-5369.

5. HRIBAR-LEE, Barbara, PIZIO, Orest, TROKHYMCHUK, Andrij, VLACHY, Vojko. Ion-ion correlations in electrolyte solutions adsorbed in disordered electroneutral charged matrices from replica Ornstein-Zernike equations. The Journal of chemical physics, 1998, vol. 109, 2480-2489.

4. HRIBAR-LEE, Barbara, PIZIO, Orest, TROKHYMCHUK, Andrij, VLACHY, Vojko. Screening of ion-ion correlations in electrolyte solutions adsorbed in electroneural disordered matrices of charged particles: application of replica Ornstein-Zernike equation. The Journal of chemical physics, 1997, vol. 107, 6335-6341.

3. HRIBAR-LEE, Barbara, KRIENKE, H., KALYUZHNYI, Yu. V., VLACHY, Vojko. Dilute solutions of highly asymmetrical electrolytes in the primitive model approximation. Journal of molecular liquids, 1997, vol. 73/74, 277-289.

2. HRIBAR-LEE, Barbara, VLACHY, Vojko. Evidence of electrostatic attraction between equally charged macroions induced by divalent counterions. The journal of physical chemistry. B, 1997, vol. 101, 3457-3459.

1. HRIBAR-LEE, Barbara, KALYUZHNYI, Yu. V., VLACHY, Vojko. Ion-ion correlations in highly asymmetrical electrolytes. Molecular Physics, 1996, vol. 87, 1317-1331.