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( PhysChem publications | OrgChem publications )

Publications of Laboratory of Physical Chemistry


  • 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]