* ''Year 2011''
  1. A. Kokalj, N. Kovačević, [[http://www.sciencedirect.com/science/article/pii/S0009261411003149|"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, [[https://www.sciencedirect.com/science/article/pii/S0927025611002151|"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, [[http://www.sciencedirect.com/science/article/pii/S0010938X10005615|"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, [[http://www.sciencedirect.com/science/article/pii/S2210271X11001642|"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, [[http://pubs.acs.org/doi/abs/10.1021/jp204868k|"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, [[http://onlinelibrary.wiley.com/doi/10.1002/maco.201005645/pdf|"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, [[http://pubs.rsc.org/en/content/articlelanding/2011/cp/c1cp21873e|"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, [[http://prb.aps.org/abstract/PRB/v84/i4/e045418|"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, [[https://www.degruyter.com/view/j/pac.2011.83.issue-2/pac-con-10-07-09/pac-con-10-07-09.xml|"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, [[http://onlinelibrary.wiley.com/doi/10.1002/cphc.201100537/abstract|"Triazole, Benzotriazole, and Naphthotriazole as Copper Corrosion Inhibitors: I. Molecular Electronic and Adsorption Properties"]], C''''''hemPhysChem, vol. 12, no. 18, pp. 3547-3555, 2011.
  11.  N. Kovačević, A. Kokalj, [[http://pubs.acs.org/doi/abs/10.1021/jp207076w|" 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.