K3-en/PublicationsAllRight - Institut "Jozef Stefan"

PUBLICATIONS

( PhysChem publications | OrgChem publications )

Publications of Laboratory of Physical Chemistry

Year 2016
1. I. Milošev, P. Rodič, Cerium chloride and acetate salts as corrosion inhibitors for aluminium alloy AA7075-T6 in sodium chloride solution, Corros. Sci., vol. 72, 1021–1034, 2016
2. A. Pavlišič, P. Jovanovič, V. S. Šelih, M. Šala, M. Bele, G. Dražić, I. Arčon, S. B. Hočevar, A. Kokalj, N. Hodnik, M. Gaberšček, Atomically resolved dealloying of structurally ordered Pt nanoalloy as an oxygen reduction reaction electrocatalyst ACS Catal., vol. 6, 5530–5534, 2016
3. M. Poberžnik, A. Kokalj, Origin of surprising attractive interactions between electronegative oxygen adatoms on aluminum surfaces, J. Phys. Chem. C, vol. 120, 25915–25922, 2016
4. M. Poberžnik, M. Purg, M. Repič, J. Mavri, R. Vianello, Empirical valence bond simulations of the hydride-transfer step in the monoamine oxidase A catalyzed metabolism of noradrenaline, J. Phys. Chem. B, vol. 120, 11419–11427, 2016
5. N. Cotolan, M. Rak, M. Bele, A. Cör, L. M. Mureşan,I. Milošev, Sol-gel synthesis, characterization and properties of TiO2 and Ag-TiO2 coatings on titanium substrate, Surf. Coat. Technol., vol. 307, 790–799, 2016
6. I. Milošev, N. Kovačević, A. Kokalj, Effect of mercapto and methyl groups on the efficiency of imidazole and benzimidazole-based inhibitors of iron corrosion, Acta Chim. Slov., vol. 63, 544–559, 2016
7. D. Covaciu Romonti, J. Iskra, M. Bele, I. Demetrescu, I. Milošev, Elaboration and characterization of fluorohydroxyapatite and fluoroapatite sol-gel coatings on CoCrMo alloy, J. Alloys Compd., vol. 665, 355–364, 2016
8. I. Milošev, V. Levašič, J. Vidmar, S. Kovač, R. Trebše, pH and metal concentration of synovial fluid of osteoarthritic joints and joints with metal replacements, J. Biomed. Mater. Res., doi:10.1002/jbm.b.33793
9. D. E. Romonti, A. Gomez Sanchez, I. Milošev, I Demetrescu, S. Ceréa, Effect of anodization on the surface characteristics and electrochemical behaviour of zirconium in artificial saliva, Mater. Sci. Eng. C, vol. 62, 458–466, 2016.
10. P. Rodič, A. Mertelj, M. Borovšak, A. Benčan, D. Mihailovič, B. Malič, I. Milošev, Composition, structure and morphology of hybrid acrylate-based sol-gel coatings containing Si and Zr composed for protective applications., Surf. Coat. Technol., vol. 286, 388–396, 2016.
11. D. Covaciu Romonti, I. Milošev, I. Demetrescu, Effect of sodium fluoride on the stability of dental alloys in artificial saliva., Rev. Chim, vol. 67, 1097–1103, 2016.
12. D. E. Romonti, A. Gomez Sanchez, I. Milošev, S. Ceréa, Effect of anodization on the surface characteristics and electrochemical behaviour of zirconium in artificial saliva., Mater. Sci. Eng., C, vol. 62, 458–466, 2016.
13. G. Žerjav, A. Lanzutti, F. Andreatta, L. Fedrizzi, I. Milošev, Characterization of self-assembled layers made with stearic acid, benzotriazole, or 2-mercaptobenzimidazole on surface of copper for corrosion protection in simulated urban rain., Mater. Corros., vol. 68, 30-41, 2016
14. P. Rodič, I. Milošev, Corrosion inhibition of pure aluminium and alloys AA2024-T3 and AA7075-T6 by cerium(III) and cerium(IV) salts., J. Electrochem. Soc., vol. 163, C85–C93, 2016
15. D. Covaciu Romonti, J. Iskra, M. Bele, I. Demetrescu, I. Milošev, Elaboration and characterization of fluorohydroxyapatite and fluoroapatite sol-gel coatings on CoCrMo a lloy., J. Alloys Compd., vol. 665, 355–364, 2016
16. R. Trebše, A. Mihelič, V. Levašič, A. Cör, I. Milošev, Results of revision of total hip arthroplasty for alumina ceramic-on-ceramic bearing fracture., Hip Int., vol. 26, 237–243, 2016
17. I. Milošev, P. Rodič, Cerium chloride and acetate salts as corrosion inhibitors for aluminium alloy AA7075-T6 in sodium chloride solution., Corrosion, vol. 72, 1021–1034, 2016
18. S. Tušar, A. Lesar, Hydrogen bonding in the hydroxysulfinyl radical-formic acid-water system: a theoretical study, J. Comput. Chem., vol. 37, 1611–1625, 2016
19. A. Lesar, S. Tušar, Water mediated hydrogen abstraction mechanism in the radical reaction between HOSO and NO2, Chem. Phys. Lett., vol. 651, 209–215, 2016
Year 2015
1. I. Milošev, N. Kovačević, J. Kovač, A. Kokalj, The roles of mercapto, benzene and methyl groups in the corrosion inhibition of imidazoles on copper: I. Experimental characterization, Corros. Sci., vol. 98, 107−118, 2015.
2. N. Kovačević, I. Milošev, A. Kokalj, The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding, Corros. Sci., vol. 98, 457−470, 2015.
3. A. Kokalj, Ab initio modeling of the bonding of benzotriazole corrosion inhibitor to reduced and oxidized copper surfaces, Faraday Discuss., vol. 180, 415−438, 2015.
4. A. Kokalj, S. Peljhan, Density Functional Theory Study of Adsorption of Benzotriazole on Cu2O Surfaces, J. Phys. Chem. C, vol. 119, 11625−11635, 2015.
5. T. Matsushima, A. Kokalj, N2 Emission via Intermediate N2O in a Steady-State NO + CO + D2 Reaction on Stepped Pd(211) by Angle-Resolved Desorption, J. Phys. Chem. C, vol. 119, 11699−11713, 2015.
6. G. Žerjav, I. Milošev, Protection of copper against corrosion in simulated urban rain by the combined action of benzotriazole,2-mercaptobenzimidazole and stearic acid, Corros. Sci., vol. 98, 180−191, 2015.
7. G. Žerjav, I. Milošev, Corrosion protection of brasses and zinc in simulated urban rain. Part I., Individual inhibitors benzotriazole, 2-mercaptobenzimidazole and stearic acid, Mater. Corros., vol. 66, 1402–1413, 2015.
8. G. Žerjav, I. Milošev, Corrosion protection of brasses and zinc in simulated urban rain. Part II., Individual inhibitors benzotriazole, 2-mercaptobenzimidazole and stearic acid, Mater. Corros., vol. 67, 92−103, 2016.
9. I. Milošev, B. Kapun, P. Rodič, J. Iskra, Hybrid sol–gel coating agents based on zirconium(IV) propoxide and epoxysilane, J. Sol-Gel Sci. Technol., vol. 74, 447−459, 2015.
10. I. Santana, A. Pepe, E. Jimenez-Pique, S. Pellicea, I. Milošev, S. Ceré, Corrosion protection of carbon steel by silica-based hybrid coatings containing cerium salts: Effect of silica nanoparticle content, Surf. Coat. Technol., vol. 265, 106−116, 2015.
11. M. Kulkarni, A. Mazare, E. Gongadze, Š. Perutkova, V. Kralj-Iglič, I. Milošev, P. Schmuki, A. Iglič, M. Mozetič, Titanium nanostructures for biomedical applications, Nanotechnology, vol. 26, 062002, 2015.
12. D. Gustinčič, A. Kokalj, A DFT study of adsorption of imidazole, triazole, and tetrazole on oxidized copper surfaces: Cu2O(111) and Cu2O(111)-w/o-CuCUS, Phys. Chem. Chem. Phys., vol. 17, 28602−28615, 2015.
13. G. Frankel, A. Kokalj et al., Corrosion scales and passive films: general discussion, Faraday Discuss., vol. 180, 205-232, 2015.
14. A. Cook, A. Kokalj et al., Corrosion control: general discussion, Faraday Discuss., vol. 180, 543-576, 2015.
15. I. Klopčič, M. Poberžnik, J. Mavri, M. Sollner-Dolenc, A quantum chemical study of the reactivity of acetaminophen (paracetamol) toxic metabolite N-acetyl-p-benzoquinone imine with deoxyguanosine and glutathione, Chem-biol. Inter., vol. 242, 407-414, 2015
16. A. Lesar, S. Tušar, H-bonded CH3SO/H2SO4/H2O complexes: a quantum chemical study, Acta Chim. Slov., Vol. 62, 565-573, 2015

Year 2014
1. I. Milošev, J. Hmeljak, G. Žerjav, A. Coer, J. M. Calderon Moreno, M. Popa, " Quaternary Ti–20Nb–10Zr–5Ta alloy during immersion in simulated physiological solutions: formation of layers, dissolution and biocompatibility", J. Mater. Sci. Mater. Med., vol. 25, 1099-1114, 2014.
2. S. Peljhan, J. Koller, A. Kokalj, The effect of surface geometry of copper on adsorption of benzotriazole and Cl. Part I., J. Phys. Chem. C, vol. 118, 933-943, 2014.
3. A. Kokalj, S. Pelhan, J. Koller, The effect of surface geometry of copper on dehydrogenation of benzotriazole. Part II., J. Phys. Chem. C, vol. 118, 944-954, 2014.
4. A. Kokalj, Comment on the A.B. Rochaʼs reply to second comment on the paper "On the nature of inhibition performance of imidazole on iron surface", Corros. Sci., vol. 79, 215-220, 2014.
5. A. Kokalj, "Molecular Modeling of Organic Corrosion Inhibitors: Why Bare Metal Cations are Not Appropriate Models of Oxidized Metal Surfaces and Solvated Metal Cations", Acta Chim. Slov., vol. 61, pp. 340-349, 2014.
6. G. Žerjav, I. Milošev "Carboxylic Acids as Corrosion Inhibitors for Cu, Zn and Brasses in Simulated Urban Rain", Int. J. Electrochem. Sci., vol. 9, pp. 2696-2715, 2014.
7. P. Rodič, J. Iskra, I. Milošev, "Study of a sol-gel process in the preparation of hybrid coatings for corrosion protection using FTIR and [sup]1H NMR methods", J. Non-Cryst. Solids, vol. 396/397, pp. 25-35, 2014.
8. P. Rodič, J. Iskra, I. Milošev, "A hybrid organic-inorganic sol gel coating for protecting aluminium alloy 7075-T6 against corrosion in Harrisons solution", J. Sol-Gel Sci. Techn., vol. 70, no. 1, pp. 90-103, 2014.
9. P. Rodič, J. Iskra, I. Milošev, "Corrosion properties of UV cured hybrid sol-gel coatings on AA7075-T6 determined under simulated aircraft condition", J. Electrochem. Soc., vol. 161, no. 9, pp. C412-C420, 2014.
10. D. Peca, B. Pihlar, I. Milošev, "Protection of copper surface with phytic acid against corrosion in chloride solution", Acta Chim. Slov., vol. 61, no. 3, pp. 457-467, 2014.
11. A. Lesar, S. Tušar, "Structure, stability, and spectroscopic properties of h-bonded complexes of HOSO and CH3SO with H2O", J. Phys. Chem. A, vol. 118, no. 36, pp. 7855-7862, 2014.
12. T. Makino, M. Okada, A. Kokalj, "Adsorption of C2H4 on Stepped Cu(410) Surface: A Combined TPD, FTIR, and DFT Study", J. Phys. Chem. C, vol. 118, pp. 27436−27448, 2014.
13. I. Milošev, B. Kapun, P. Rodič, J. Iskra, "Hybrid sol-gel coating agents based on zirconium(IV) propoxide and epoxysilane.", J. Sol-Gel Sci. Techn., 2014, online 21.1.2015.

Year 2013
1. I. Milošev, P. Rodič, " Hibridne sol-gel prevleke: protikorozijska zaščita prihodnosti", IJS Novice, no. 167, 9-11, 2013.
2. Darja Kek-Merl, P. Panjan, I. Milošev, "Effect of tungsten content on properties of PVD sputtered Al-W X alloys", J. Surf. Eng., vol. 29, no. 4, 281-286, 2013.
3. I. Milošev, J. Pavlinac, M. Hodošček, A. Lesar, "Amino acids as corrosion inhibitors for copper in acidicmedium: experimental and theoretical study", J. Serb.Chem. Soc., vol. 78, 2069-2086, 2013.
4. I. Milošev, J. Hmeljak, A. Coer, "Hyaluronic acid stimulates the formation of calcium phosphate on CoCrMo alloy in simulated physiological solution", J. Mater. Sci.-Mater. M., vol. 24, no. 3, 555-571, 2013.
5. I. Milošev, D. Blejan, S. Varavara, L.-M. Muresan, "Effect of anodic oxidation on the corrosion behavior of Ti-based materials in simulated physiological solution", J. Appl. Electrochem., vol. 43, no. 7, 645-658, 2013.
6. P. Rodič, M. Bratuša, M. Lukšič, V. Vlachy, B. Hribar, "Influence of the hydrophobic groups and the nature of counterions on ion-binding in aliphatic ionene solutions", Colloid. Surface. A, vol. 424, no. 1, 18-25, 2013.
7. A. Lesar, "Mechanistic study on the reaction of the CH2ClO2 radical with NO", Chem. Phys. Lett., vol. 579, 28-34, 2013.
8. I. Milošev, B. Kapun, V. S. Šelih, "The effect of fluoride ions on the corrosion behaviour of Ti metal, and Ti6Al7Nb and Ti6Al4V alloys in artificial saliva", Acta chim.slov., vol. 60, no. 3, 543-555, 2013.
9. I. Milošev, G. Žerjav, J. M. Calderon Moreno, M. Popa, "Electrochemical properties, chemical composition and thickness of passive film formed on novel Ti–20Nb–10Zr–5Ta alloy", Electrochim. Acta., vol. 99, 176–189, 2013.
10. A. Kokalj, "Formation and structure of inhibitive molecular film of imidazole on iron surface", Corros. Sci., vol. 68, 195–203, 2013.
11. A. Kokalj, "Comments on the paper “On the nature of inhibition performance of imidazole on iron surface” by J.O. Mendes, E.C. da Silva, A.B. Rocha", Corros. Sci., vol. 68, 286–289, 2013.
12. A. Kokalj, "Comments on the “Reply to comments on the paper ‘On the nature of inhibition performance of imidazole on iron surface’” by J.O. Mendes and A.B. Rocha", Corros. Sci., vol. 70, 294–297, 2013.
13. N. Kovačević, A. Kokalj, "The relation between adsorption bonding and corrosion inhibition of azole molecules on copper", Corros. Sci., vol. 73, 7–17, 2013.
14. T. Matsushima, H. Orita, A. Kokalj, "An Experimental Approach to Transition States of Surface Reactions; Energy Partitioning in Repulsive Desorption", e-J. Surf. Sci. Nanotech., vol. 11, 65–71, 2013.

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Year 2012
1. I. Milošev, S. Kovač, R. Trebše, V. Levašič, V. Pišot, "Comparison of 10-year survivorship of alternative and traditional bearings of hip prostheses", J. Bone Joint Surg. Am., vol. 93, pp. 1756-1763, 2012.
2. Z. Salta, A. M. Kosmas, A. Lesar, "Computational investigation of the peroxy radicals CH3S(O)nOO and the peroxynitrates CH3S(O)nOONO2 (n = 0, 1, 2)", Comput. Theor. Chem., vol. 1001, pp. 67-76, 2012.
3. A. Lesar, "Product channels in the reaction of the CH3SO radical with NO2: DFT and ab initio studies", Int. J. Quant. Chem., vol. 112, pp. 1904-1912, 2012.
4. N. Kovačević, A. Kokalj, "Chemistry of the interaction between azole type corrosion inhibitor molecules and metal surfaces", Mater. Chem. Phys., vol. 137, no. 1, pp. 331-339, 2012.
5. A. Kokalj, "On the HSAB based estimate of charge transfer between adsorbates and metal surfaces", Chem. Phys., vol. 393, no. 1, pp. 1-12, 2012.
6. N. Kovačević, B. Pihlar, V. S. Šelih, I. Milošev, "The effect of pH value of a simulated physiological solution on the corrosion resistance of orthopedic alloys", Acta Chim. Slov., vol. 59, no. 1, pp. 144-155, 2012.
7. T. Matsushima, A. Kokalj, H. Orita, T. Kubo, M.Kurai, T. Kondo, J. Nakamura, "N2 emission-channel change in NO reduction over stepped Pd(211) by angle-resolved desorption", Surf. Sci., vol. 606, no. 13/14, pp. 1029-1036, 2012.
8. I. Milošev, B. Kapun, "The corrosion resistance of Nitinol alloy in simulated physiological solution. Part 1: The effect of surface preparation", Mater. Sci. Eng. C., vol. 32, no. 5, pp. 1087-1096, 2012.
9. I. Milošev, B. Kapun, "The corrosion resistance of Nitinol alloy in simulated physiological solution. Part 2: The effect of surface treatment", Mater. Sci. Eng. C., vol. 32, no. 5, pp. 1068-1077, 2012.
10. R. Morrell, R. Danzer, I. Milošev, "An assessmnent of in-vivo failures of alumnia ceramic total hip joint replacements", J. Eur. Ceram. Soc., vol. 32, no. 12, pp. 3073-3084, 2012.
11. M. Metikoš-Huković, J. Katić, I. Milošev, "Kinetics and pasivity of NiTi in an acidic solution and spectroscopic characterization of passive films", J. Solid State Electrochem., vol. 16, no. 7, pp. 2503-2513, 2012.
12. I. Milošev, Ž. Jovanović, J.B. Bajat, R. Jančić-Heinemann, V.B. Mišković-Stanković, "Surface analysis and electrochemical behaviour of aluminium pretreated by vinylethoxysilane films in mild NaCl solution", J. Electrochem. Soc., vol. 159, no. 7, pp. C303-311, 2012.
13. I. Milošev, "The effect of biomolecules on the behaviour of CoCrMo alloys in various simulated physiological solutions", Electrochim. Acta, vol. 78, pp. 259-273, 2012.
14. I. Milošev, M. Metikoš-Huković, Ž. Petrović, "Influence of preparation methods on the properties of self-assembled films of octytadecylphosphonate on Nitinol: XPS and EIS studies", Mater. Sci. Eng. C, vol. 32, no. 8, pp. 2064-2616, 2012.
15. C. S. Praveen, A. Kokalj, M. Rerat, M. Valant, "Response properties of AgCl and AgBr under an external static electric field: a density functional study", Solid State Sci., vol. 14, no. 10, pp. 1412-1418, 2012.

Year 2011
1. A. Kokalj, N. Kovačević, "On the consistent use of electrophilicity index and HSAB-based electron transfer and its associated change of energy parameters", Chem. Phys. Lett., vol. 507, no. 1/3, pp. 181-184, 2011.
2. C. S. Preveen, A. Kokalj, M. Valant, "B3LYP investigation of response properties of alkali halides on external static electric fields", Comp. Mater. Sci., vol. 50, no. 9, pp. 2628-2635, 2011.
3. N. Kovačević, A. Kokalj, "Analysis of molecular electronic structure of imidazole- and benzimidazole-based inhibitors : a simple recipe for qualitative estimation of chemical hardness", Corros. Sci., vol. 53, no. 3, pp. 909-921, 2011.
4. A. M. Kosmas, S. Liaska, A. Lesar, "Theoretical characterization of the reactions CH[sub]3XCH[sub]2O[sub]2 + NO (X = O, S)", J. Mol. Struct. Theochem., vol. 967, no. 1, pp. 37-43, 2011.
5. A. Lesar, A. Tavčar, "Atmospheric reaction of the HOSO radical with NO[sub]2: a theoretical study", J. Phys. Chem. A, vol. 115, no. 40, pp. 11008-11015, 2011.
6. M. Finšgar, I. Milošev, "Corrosion study of copper in the presence of benzotriazole and its hydroxy derivative", Mater. Corros., vol. 62, no. 10, pp. 956-966, 2011.
7. S. Peljhan, A. Kokalj, "DFT study of gas-phase adsorption of benzotriazole on Cu(111), Cu(100), Cu(110), and low coordinated defects thereon", Phys. Chem. Chem. Phys., vol. 13, no. 45, pp. 20408-24017, 2011.
8. A. Kokalj, "Electrostatic model for treating long-range lateral interactions between polar molecules adsorbed on metal surfaces", Phys. Rev. B, vol. 84, no. 4, pp. 045418, 2011.
9. I. Milošev, "Metallic materials for biomedical applications: laboratory and clinical studies", Pure Appl. Chem., vol. 83, no. 2, pp. 309-324, 2011.
10. A. Kokalj, N. Kovačević, S. Peljhan, M. Finšgar, A. Lesar, I. Milošev, "Triazole, Benzotriazole, and Naphthotriazole as Copper Corrosion Inhibitors: I. Molecular Electronic and Adsorption Properties", ChemPhysChem, vol. 12, no. 18, pp. 3547-3555, 2011.
11. N. Kovačević, A. Kokalj, " DFT study of interaction of azoles with Cu(111) and Al(111) surfaces: role of azole nitrogen atoms and dipole-dipole interactions", J. Phys. Chem. C, vol. 115, no. 49, pp. 24189-24197, 2011.

Year 2010
1. M. Finšgar, J. Kovač, I. Milošev, "Surface analysis of 1-hydroxy-benzotriazole and benzotriazole adsorbed on Cu by X-ray photoelectron spectroscopy", J. Electrochem. Soc., vol. 157, no. 2, pp. C52-C60, 2010.
2. J.B. Bajat, I. Milošev, Ž. Jovanović, R.M. Jančić-Heinemann, M. Dimitrijević, V. Mišković-Stanković, "Corrosion protection of aluminium pretreated by vinyltriethoxysilane in sodium chloride solution", Corr. Sci., vol. 52, pp. 1060-1069, 2010.
3. J. B. Bajat, I. Milošev, Ž. Jovanović, V-B. Mikšković-Stanković,"Studies on adhesion characteristics and corrosion behaviour of vinyltriethoxysilane/epoxy coating protective system on aluminium ", Appl. Surf. Sci., vol. 256, pp. 3508-3517, 2010.
4. M. Finšgar, I. Milošev,"Corrosion behavor of stainless steels in solutions of methansulfonic acid", Corr. Sci., vol 52, pp. 2430-2438, 2010.
5. I. Milošev, T. Kosec. M. Bele,"The formation of hydrophobic and corrosion resistant surfaces by treatment of copper and bronze in myristic acid", J. Appl. Electrochem., vol. 40, pp. 1371-1323, 2010.
6. M. Finšgar, I. Milošev,"Inhibition of copper corrosion by 1,2,3-benzotriazole", Corr. Sci., vol. 52, pp. 2737-2749, 2010.
7. M. Finšgar, S. Peljhan, A. Kokalj, J. Kovač, I. Milošev, "Determination of the Cu2O thickness on BTAH-inhibited copper by reconstruction of Auger spectra", J. Electrochem. Soc., vol. 157, pp. C295-C301, 2010.
8. T. Kosec, A. Legat, I. Milošev,"The comparison of organic protective layers on bronze and copper", Progress in Organic Coatings, vol. 69, pp. 199-206, 2010.
9. A. Kokalj, S. Peljhan,"Density Functional Theory Study of ATA, BTAH, and BTAOH as Copper Corrosion Inhibitors: Adsorption onto Cu(111) from Gas Phase", Langmuir, vol. 26, no. 18, pp. 14582-14593, 2010.
10. A. Lesar. A. M. Kosmas, "Theoretical study on the mechanism of the reaction of CF3S with NO2", J. Phys. Chem. A, vol. 114, no. 2, pp. 1147-1152, 2010.
11. A. Kokalj, S. Peljhan, M. Finšgar, I. Milošev,"What Determines the Inhibition Effectiveness of ATA, BTAH, and BTAOH Corrosion Inhibitors on Copper?", J. Am. Chem. Soc., vol. 132, pp. 16657–16668, 2010.
12. A. Kokalj, "Is the analysis of molecular electronic structure of corrosion inhibitors sufficient to predict the trend of their inhibition performance", Electrochim. Acta, vol. 56, pp. 745-755, 2010.
Year 2009
1. Sebastijan Peljhan, Ema Žagar, Janez Cerkovnik, Ksenija Kogej "Strong Intermolecular Association between Short Poly(ethacrylic acid) Chains in Aqueous Solutions" , J. Phys. Chem. B, vol. 113, no. 8, p. 2300-2309, 2009
2. Matjaž Finšgar, Stefan Fassbender, Fabio Nicolini, Ingrid Milošev, "Polyethyleneimine as a corrosion inhibitor for ASTM 420 stainless steel in near-neutral saline media", Corros. Sci., vol. 51, no. 3, 525-533, 2009.
3. Agnie M. Kosmas, Zoi Salta and Antonija Lesar "Effect of Halogenation on the Mechanism of the Atmospheric Reactions between Methylperoxy Radicals and NO. A computational Study", J. Phys. Chem. A, vol. 113, no. 15, pp. 3545–3554, 2009
4. I. Milošev and T. Kosec "Electrochemical and Spectroscopic Study of Benzotriazole Films Formed on Copper, Copper-zinc Alloys and Zinc in Chloride Solution" Chem. Biochem. Eng. Q., vol. 23 no.1, p. 53–60, 2009
5. Olaf Skibbe, Anton Kokalj, et al. "Ethene stabilization on Cu(111) by surface roughness", J. Chem. Phys., vol. 131, št. 2, str. 024701-1-024701-8, 2009
6. Sebastijan Peljhan and Anton Kokalj. "Adsorption of chlorine on Cu(111) : a density-functional theory study." J. Phys. Chem. C, vol. 113, no. 32, p. 14363-14376, 2009.
7. Paolo Giannozzi, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, Guido L Chiarotti, Matteo Cococcioni, Ismaila Dabo, Andrea Dal Corso, Stefano de Gironcoli, Stefano Fabris, Guido Fratesi, Ralph Gebauer, Uwe Gerstmann, Christos Gougoussis, Anton Kokalj, Michele Lazzeri, Layla Martin-Samos, Nicola Marzari, Francesco Mauri, Riccardo Mazzarello, Stefano Paolini, Alfredo Pasquarello, Lorenzo Paulatto, Carlo Sbraccia, Sandro Scandolo, Gabriele Sclauzero, Ari P Seitsonen, Alexander Smogunov, Paolo Umari and Renata M Wentzcovitch, "QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials" J. Phys.: Condens. Matter, vol. 21, no. 39, p. 395502, 2009.
8. Matjaž Finšgar, Stefan Fassbender, Sabine Hirth, Ingrid Milošev, "Electrochemical and XPS study of polyethyleneimines of different molecular sizes as corrosion inhibitors for AISI 430 stainless steel in near-neutral chloride media", Mat. Chem. Phys., vol. 116, no. 1, 198-206, 2009.
9. Ingrid Milošev, Maja Remškar, "In vivo production of nanosized metal wear debris formed by tribochemical reaction as confirmed by highresolution TEM and XPS analyses", J. biomed. mater. res., Part A, vol. 91, št. 4, str. 1100-1110, 2009.
10. Antonija Lesar, Ingrid Milošev, "Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives", Chem. Phys. Lett., vol. 483, št. 4/6, str. 198-203, 2009.
11. Antonija Lesar, Milan Hodošček, "Electronically excited states of XOONO (X=Cl, Br): theoretical studies", Mol. Phys., vol. 107, št. 7, str. 693-700, 2009.
Year 2008
1. Matjaž Finšgar, Antonija Lesar, Anton Kokalj, Ingrid Milošev, "A comparative electrochemical and quantum chemical calculation study of BTAH and BTAOH as copper corrosion inhibitors in near neutral chloride solution", Electrochim. acta, vol. 53, no. 28, str. 8287-8297, 2008.
2. Paola Gava, Anton Kokalj, Stefano de Gironcoli, Stefano Baroni, "Adsorption of chlorine on Ag(111) : no subsurface Cl at low coverage", Phys. rev., B, Condens. matter mater. phys., vol. 78, no. 16, str. 165419-1-165419-15, 2008.
3. Anton Kokalj, Paola Gava, Stefano de Gironcoli, Stefano Baroni, "Activated adsorption of ethylene on atomic-oxygen-covered AD(100) abd Ag(210): formation of an oxametallacycle", The journal of physical chemistry. C, Nanomaterials and interfaces, vol. 112, no. 4, str. 1019-1027, 2008.
4. Anton Kokalj, Paola Gava, Stefano de Gironcoli, Stefano Baroni, "What determines the catalyst's selectivity in the ethylene epoxidation reaction", J. catal., vol. 254, no. 2, str. 304-309, 2008, http://dx.doi.org/10.1016/j.jcat.2008.01.008.
5. Tadeja Kosec, Darja Kek-Merl, Ingrid Milošev, "Impedance and XPS study of benzotriazole films formed on copper, copper-zinc alloys and zinc in chloride solution", Corros. sci., vol. 50, no. 7, str. 1987-1997, 2008.
6. Agnie M. Kosmas, Antonija Lesar, "Computational study of the perhalogenated methyl nitrates CX[sub]3ONO[sub]2, CX[sub]xY[sub](3-x)ONO[sub]2(X, Y = F, Cl)", Mol. Phys., vol. 106, no. 8, str. 1025-1032, 2008.
7. Saša Kovačič, Jože Koller, Janez Cerkovnik, Tell Tuttle, Božo Plesničar, "Dihzdrogen trioxide clusters, (HOOOH)n, n=2-4, and the hydrogen bonded complexes of HOOOH with acetone and dimethyl eter: implications for the decomposition of HOOH" J. Phys. Chem., A Mol. spectrosc. kinet. environ. gen. theorz, vol. 112, no. 35, str. 8129-8135, 2008.
8. Antonija Lesar, Tamara Sajevic, "Structures, vibrational spectra, and relative energetics of FC(O)ONO and FC(O)NO[sub]2 isomers at DFT and ab initio levels", Mol. Phys., vol. 106, no. 19, str. 2301-2308, 2008.
9. Ingrid Milošev, Tadeja Kosec, Hans-Henning Strehblow, "XPS and EIS study of the passive fim formed on orthopaedic Ti-6Al-7Nb alloy in Hank's physiological solution", Electrochim. acta, vol. 53, no. 9, str. 3547-3558, 2008.
10. L. Savio, C. Giallombardo, L. Vattuone, Anton Kokalj, M. Rocca, "Oxygen interaction at Ag(511) : from chemisorption to the initial stages of oxide formation", J. phys., Condens. matter, vol. 20, no. 22, str. 224006-1-224006, 2008.
11. L. Savio, C. Giallombardo, L. Vattuone, Anton Kokalj, M. Rocca, "Tuning the stoichiometry of surface oxide phases by step morphology: Ag(511) versus Ag(210), Phys. rev. lett., vol 101, no.26, str. 266103-1-266103-4, 2008.
12. S. Virtanen, Ingrid Milošev, E. Gomez-Barrena, Rihard Trebše, J. Salo, Y.T. Konttinen, "Special modes of corrosion under physiological and simulated physiological conditions", Acta biomaterialia, vol. 4, no. 3, str. 468-476, 2008.
Leto 2007
1. Lesar, Antonija, Salta, Zoi, Kovačič, Saša, Kosmas, Agnie M. Theoretical characterization of halogenated methylperoxy nitrites CX[sub]nY[sub](3-n)OONO (X, Y =H, F, Cl). Chem. Phys. Lett.. [Print ed.], 2007, vol. 446, str. 268-275. [COBISS.SI-ID 21083431]
2. Kokalj, Anton, Dominko, Robert, Mali, Gregor, Meden, Anton, Gaberšček, Miran, Jamnik, Janko. Beyond one-electron reaction in Li cathode materials : designing Li[sub]2Mn[sub]xFe[sub](1-x)SiO[sub]4. Chem. mater.. [Print ed.], 2007, vol. 19, no. 15, str. 3633-3640. [COBISS.SI-ID3734554]
3. Dominko, Robert, Bele, Marjan, Kokalj, Anton, Gaberšček, Miran, Jamnik, Janko. Li[sub]2MnSiO[sub]4 as a potential Li-battery cathode material. J. power sources. [Print ed.], 2007, vol. 174, no. 2, str. 457-461. [COBISS.SI-ID 3767322]
4. Matsushima, Tatsuo, Kokalj, Anton. Angular distributions of desorbing N[sub]2 in thermal N[sub]2O decomposition on Rh (100). Surf. sci.. [Print ed.], 2007, issue 18, vol. 601, str. 3996-4000. [COBISS.SI-ID 21046567]
5. Finšgar, Matjaž, Milošev, Ingrid, Pihlar, Boris. Inhibition of copper corrosion studied by electrochemical and EQCN techniques. Acta chim. slov.. [Tiskana izd.], 2007, vol. 54, no. 3, str. 591-597, graf. prikazi. http://acta.chem-soc.si/54/54-3-591.pdf. [COBISS.SI-ID 28928261]
6. Kosec, Tadeja, Milošev, Ingrid, Pihlar, Boris. Benzotriazole as an inhibitor of brass corrosion in chloride solution. Appl. surf. sci.. [Print ed.], 2007, issue 22, vol. 253, str. 8858-8873. [COBISS.SI-ID 20740391]
7. Kosec, Tadeja, Milošev, Ingrid. Metal ion release and surface composition of the Cu[sub](18)Ni[sub](20)Zn nickel silver during 30-days immersion in artificial sweat. Appl. surf. sci.. [Print ed.], 2007, vol. 254, str. 644-652. http://dx.doi.org/10.1016/j.apsusc.2007.06.049. [COBISS.SI-ID 20859943]
8. Milošev, Ingrid. The effect of various halide ions on the passivity of Cu, Zn and Cu-xZn alloys in borate buffer. Corros. sci.. [Print ed.], 2007, vol. 49, str. 637-653. [COBISS.SI-ID 20494631]
9. Metikoš-Huković, Mirjana, Babič, Ranko, Omanović, Dario, Milošev, Ingrid. The role of alloying elements in the corrosion of cobalt-based alloys. ECS transactions, 2007, vol. 2, no. 9, str. 43-57. [COBISS.SI-ID 20599335]
10. Milošev, Ingrid, Kosec, Tadeja. Study of Cu-18Ni-20Zn nickel silver and other Cu-based alloys in artificial sweat and physiological solution. Electrochim. acta. [Print ed.], 2007, vol. 52, str. 6799-6810. [COBISS.SI-ID 20732711]
11. Kosec, Tadeja, Milošev, Ingrid. Comparison of a ternary Cu-18Ni-20Zn alloy and binary Cu-based alloys in alkaline solutions. Mater. chem. phys.. [Print ed.], 2007, vol. 104, no. 1, str. 44-49. [COBISS.SI-ID 20585255]
Leto 2006
1. Nicola Bonini, Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni: Structure and dynamics of the missing-row reconstruction on O/Cu(001) and O/Ag(001). Surf. sci., Vol. 600, str. 5074-5079, 2006. [COBISS.SI-ID 20356I351]
2. Anton Kokalj, Nicola Bonini, Stefano de Gironcoli, Carlo Sbraccia, Guido Fratesi, Stefano Baroni: Methane dehydrogenation on Rh@Cu(111) : a first-principles study of a model catalyst. J. Am. Chem. Soc., Vol. 128, str. 12448-12454, 2006. [COBISS.SI-ID 20356391]
3. Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni: DFT study of a weakly π bonded C2H4 on oxygen-covered Ag(100). J. phys. chem., B Condens. mater. surf. interfaces biophys., Vol. 110, str. 367-376, 2006. [COBISS.SI-ID 19537959]
4. Yunsheng Ma, Tatsuo Matsushima, Kosuke Shobatake, Anton Kokalj: Spatial distributions of desorbing products in steady-state NO and N2O reductions on Pd(110). J. chem. phys., Vol. 124, str. 144711-1-144711-11,2006. [COBISS.SI-ID 19815463]
5. Tatsuo Matsushima, Osamu Nakagoe, Kosuke Shobatake, Anton Kokalj: The collimation angle shift of desorbing product N2 in a steady-state N2O + CO reaction on Rh(110). J. chem. phys., Vol. 125, str. 33402-1-133402-10,2006. COBISS.SI-ID 20355879]
6. Kazuo Watanabe, Anton Kokalj, Hideyuki Horino, lzabela Rzeinicka, Kazutoshi Takahashi, Nobuyuki Nishi, Tatsuo Matsushima: Scanning tunneling microscopy, near edge X-ray-absorption fine structure, and density-functional theory studies of N2O orientation on Pd(110).Jpn. j. appl. phys., Vol. 45, str. 2290-2294, 2006. [COBISS.SI-ID 19786791]
7. Saša Kovačič, Antonija Lesar, Milan Hodošček, Jože Koller: A theoretical examination of the isomerization of BrONO2, to BrOONO. Chem. phys., Vol. 323, str. 369-375, 2006. [COBISS.SI-ID 19808551]
8. Antonija Lesar, Matjaž Bončina, Milan Hodošček: Density functional study on the CICO + NO2, reaction. Chem. phys., Vol. 328, str. 363-370, 2006. [COBISS.SI-ID 20150311]
9. Antonija Lesar, Milan Hodošček, Evangelos Drougas, Agnie M. Kosmos: Quantum mechanical investigation of the atromospheric reaction CH3O2 + NO. J. phys. chem., A Mol. spectrosc. kinet. environ. gen. theory, Vol. 110, str. 7898-7903, 2006. [COBISS.SI-ID 19947559]
10. Antonija Lesar, Saša Kovačič, Milan Hodošček: CIONO and BrONO loss mechanisms in the presence of NO2 : a quantum-meehanical study. Chem. Phys. LetI, Vol. 429, str. 343-349, 2006. [COBISS.SI-ID 20150567]
11. Simon Kovač, Rihard 'I'rebše, Ingrid Milošev, Vinko Pavlovčič, Venčeslav Pišot: Long-term survival of a cemented titanium-aluminium-vanadium alloy straight-stem femoral componenl. J. bone jt. surg., Br. voI., Vol. 88, no. 12, str. 1567-1573, 2006. [COBISS.SI-ID 20374055]
12. Ingrid Milošev, Tadeja Kosec Mikić, Miran Gaberšček: The effect of Cu-rich sub-layer on the increased corrosion resistance of Cu-xZn alloys in chloride containing borate buffer. Electrochim. acta, Vol. 52, str. 415-426, 2006. [COBISS.SI-ID 20162087]
13. Ingrid Milošev, Rihard Trebše, Simon Kovač, Andrej Cör, Venčeslav Pišot: Survivorship and retrieval analysis of sikomet metakmmetal total hip replacements at a mean of seven years. J. bone jt. surg., Am. vol., VoL 88, no. 6, str. 1173-1182, 2006. [COBISS.SI-ID 19896103]
14. Mojca Slemnik, Ingrid Milošev: An impedance study of two types of stainless steel in Ringer physiological solution containing complexing agents. J. mater. sci., Mater. med., Vol. 17, no 10, str. 911-918, Oct 2006. [COBISS.SI-ID 10666262]
Leto 2005
1. Nicola Bonini, Andrea Dal Corso, Anton Kokalj, Stefano de Gironcoli: On-surface and sub-surface oxygen adsorption on Ag(210) : vibrational properties. Surf. sci, Vol. 587, str. 50-54,2005. [COBISS.SI-ID 19149351]
2. Anton Kokalj, Tatsuo Matsushima: A density-functional theory study of the interaction N2O with Rh(110). J. chem. phys., Vol. 122, str. 034708-1-034708-10, 2005. [COBISS.SI-ID 18700583]
3. Yunsheng Ma, Anton Kokalj, Tatsuo Matsushima: Inclined N2, desorption in N2O reduction by D2 and CO on Pd(110). PCCP. Phys. chem. chem. phys. (Print), Vol. 7, str. 3716-3722, 2005. [COBISS.SI-ID 19357991]
4. Kazuo Watanabe, Anton Kokalj, Yoshiya Inokuchi, Izabela Rzeznicka, Keijiro Ohshimo, Nobuyuki Nishi, Tatsuo Matsushima: Orientation of nitrous oxide on palladium (110) by STM. Chem. Phys. Lett, Vol. 406, str. 474-478, 2005. [COBISS.SI-ID 18986791]
5. Tadeja Kosec Mikić, Ingrid Milošev, Boris Pihlar: Passivity and corrosion of Cu-xZn (x-10-40 wt%) aIloys in borate buffler containing ehloride ions. J. Appl. Electrochem., Vol. 35, str. 975-984, 2005. [COBISS.SI-ID 19217959]
6. Saša Kovačič, Antonija Lesar, Milan Hodošček: Density functional characterization of the potential energy surface of the NO2 + Br reaction. Chem. Phys. Lett., Vol. 413, str. 3641,2005. [COBISS.SI-ID 19324455]
7. Saša Kovačič, Antonija Lesar, Milan Hodošček: Quantum mechanical sudy of the potential energy surface of the ClO + NO2, reaction. J. chem. info comput. sci., Vol. 45, str. 58-64, 2005. [COBISS.SI-ID 188129671]
8. Antonija Lesar, Saša Kovačič, Milan Hodošček, Max Mühlhäuser, Sigrid Peyerimhoff: Electronic spectrum and photodissociation of ClONO in comparison to BrONO. J. phys. chem., A Mol. spectrosc. Kinet. environ. gen. theory, Vol. 109, str. 10357-10362, 2005. [COBISS.SI-ID 19565351]
9. Antonija Lesar, Saša Kovačič, Milan Hodošček, Margret Stadler, Max Mühlhäuser, Sigrid Peyerimhoff: low-lying exiceted states and photodissociation studies of cis-BrONO. Mol. phys., Vol. 103, str. 2375-2380, 2005. [COBISS.SI-ID 19166247]
10. Aleksandra Kocijan, Ingrid Milošev: Raziskave pasivnih plasti na dveh kobaltovih zlitinah in njunih kovinskih komponentah z elektrokemijsko impedančno spectroskopijo. Mater. tehnol., Vol. 39, no. 5, str. 133-142,2005. [COBISS.SI-ID 19398951 ]
11. Ingrid Milošev, Venčeslav Pišot, Pat Campbell: Serum levels of cobalt and chromium in patients with Sikomet metal-metal total hip replacements. J. orthop. res., Vol. 23, str. 526-535,2005. [COBISS.SI-ID 19100967]
12. Ingrid Milošev, Rihard Trebše, Simon Kovač, Andrej Cör, Pat Campbell: Dissociation of the metal inlay from the polyethylene liner in an uncemented threaded cup. Arch. orthop. trauma surg., Vol. 125, str. 134-141,2005. [COBISS.SI-ID 18926119]
13. Rihard Trebše, Ingrid Milošev, Simon Kovač, Martin Mikek, Venčeslav Pišot: Poor results from the isoelastic total hip replacement: 14-17-year follow-up of 149 cementless prostheses. Acta Orthop Scand, Vol. 76, str. 169-176, 2005. [COBISS.SI-ID 18998311]

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