1. Pablo Merino, M. Švec, Jose Ignacio Martinez, P. Mutombo, César González, José Ángel Martin-Gago, Pedro L de Andrés Rodriguez, P. Jelínek
    Ortho and Para Hydrogen Dimers on G/SiC (0001): combined STM and DFT study
    Langmuir 31 (1) (2015) 233-239.
  2. V. Zobač, J.P. Lewis, E. Abad, J.I. Mendieta-Moreno, P. Hapala, P. Jelínek, J. Ortega
    Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
    Journal of Physics: Condensed Matter 27 (2015) 175002(1)-175002(11).
  3. A.J. Neukirch, J. Park, V. Zobac, H. Wang, P. Jelínek, O. V. Prezhdo, H.-C. Zhou, J. P. Lewis
    Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers
    Journal of Physics: Condensed Matter 27 (2015) 134208(1)-134208(11).
  4. Sh. Yamazaki, K. Maeda, Y. Sugimoto, M. Abe, V. Zobač, P. Pou, L. Rodrigo, P. Mutombo, R. Perez, P. Jelínek, S. Morita
    Interplay between Switching Driven by the Tunneling Current and Atomic Force of a Bistable Four-Atom Si Quantum Dot
    Nano Letters 15 (2015) 4356-4363.
  5. K. Iwata, Sh. Yamazaki, P. Mutombo, P. Hapala, M. Ondráček, P. Jelínek, Y. Sugimoto
    Chemical structure imaging of a single molecule by atomic force microscopy at room temperature
    Nature Communications 6 (2015) 7766(1)-7766(6).
  6. F. Albrecht, J. Repp, M. Fleischmann, M. Scheer, M. Ondráček, P. Jelínek
    Probing Charges on the Atomic Scale by Means of Atomic Force Microscopy
    Physical Review Letters 115 (2015) 076101-1-076101-5.
  7. J. Berger, E. J. Spadafora, P. Mutombo, P. Jelínek, M. Švec
    Force-Driven Single-Atom Manipulation on a Low-Reactive Si Surface for Tip Sharpening
    Small 11 (2015) 3686-3693.
  8. M. Corso, M. Ondráček, Ch. Lotze, P. Hapala, K. J. Franke, P. Jelínek, J. I. Pascual
    Charge Redistribution and Transport in Molecular Contacts
    Physical Review Letters 115 (2015) 136101(1)-136101(5).
  9. M. Telychko, P. Mutombo, P. Merino, P. Hapala, M. Ondráček, F.C. Bocquet, J. Sforzini, O. Stetsovych, M. Vondráček, P. Jelínek, M. Švec
    Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene
    ACS Nano 9 (2015) 9180-9187.
  10. P. Hapala, M. Ondráček, O. Stetsovych, M. Švec, P. Jelínek
    Simultaneous nc-AFM/STM Measurements with Atomic Resolution
    Noncontact Atomic Force Microscopy vol. 3
  11. Mykola Telychko, J. Berger, Zsolt Majzik, P. Jelínek, M. Švec
    Graphene on SiC (0001) inspected by dynamic atomic force microscopy at room temperature
    Beilstein Journal of Nanotechnology 6 (2015) 901-906.
  12. P. Jelínek
    Theoretical challenges of simultaneous nc-AFM/STM experiments
    Imaging and Manipulation of Adsorbates Using Dynamic Force Microscopy page 81-92 year 2015 ISBN 978-3-319-17400-6 Part of the series Advances in Atom and Single Molecule Machines
  13. W. Kaminski, W. Rozsíval, P. Jelínek
    Theoretical study of electronic and transport properties of PPy-Pt(111) and PPy-C(111):H interfaces
    Journal of Physics: Condensed Matter 22 (2010) 045003(1)-045003(10).
  14. S. Lindsay, J. He, O. Sankey, P. Hapala, P. Jelínek, P. Zhang, S.Chang, S. Huang
    Recognition tunneling
    Nanotechnology 21 (2010) 262001(1)-262001(12).
  15. C.Sánchez-Sánchez, C.González, P. Jelínek, J.Méndez, P.L.deAndres, J.A. Martín-Gago, M.F. López
    Understanding atomic-resolved STM images on TiO.2.(110)-(1x1) surface by DFT calculations.
    Nanotechnology 21 (2010) 405702(1)-405702(10).
  16. H. Vázquez, P. Jelínek, M. Brandbyge, A.P. Jauho, F. Flores
    Corrections to the density-functional theory electronic spectrum: copper phthalocyanine.
    Applied Physics A-Materials Science & Processing 95 (2009) 257-263.
  17. M. Švec, V. Dudr, M. Vondráček, P. Jelínek, P. Mutombo, V. Cháb, F. Šutara, V. Matolín, K. Prince
    Intra-atomic charge re-organization at the Pb Si interface: Bonding mechanism at low cover.
    Surface Science 603 (2009) 2861-2869.
  18. P. Pou, S.A. Ghasemi, P. Jelínek, T. Lenosky, S. Goedecker, R. Perez
    Structure and stability of semiconductor tip apexes for atomic force microscopy.
    Nanotechnology 20 (2009) 264015-1-264015-10.
  19. R. Bechstein, C. González, J. Schütte, P. Jelínek, R. Pérez, A. Kühnle
    'All-inclusive' imaging of the rutile TiO.2.(110) surface using NC-AFM.
    Nanotechnology 20 (2009) 505703(1)-505703(7).
  20. K. Košmider, A. Krupski, P. Jelínek, L. Jurczyszyn
    Atomic and electronic properties of the Pb/Mo(110) adsorption system.
    Physical Review B 80 (2009) 115424(1)-115424(7).
  21. S. Sadewasser, P. Jelínek, Ch.K. Fang, O.Custance, Y. Yamada, Y.Sugimoto, M.Abe, S.Morita
    New Insights on Atomic-Resolution Frequency-Modulation Kelvin-Probe Force-Microscopy Imaging of Semiconductors.
    Physical Review Letters 103 (2009) 266103(1)-266103(4).
  22. P. Pou, P. Jelínek, R. Pérez
    Basic Mechanisms for Single Atom Manipulation in Semiconductor Systems with the FM-AFM.
    Chapter 11 in Noncontact Atomic Force Microscopy, eds. S.Morita, F.J. Giessibl, R. Wiesendanger, in series NanoScience and Technology, vol. 2, Springer-Verlag Berlin Heidelberger 2009 pp. 227-248.
  23. Y. Sugimoto, P. Pou, M. Abe, P. Jelínek, R. Pérez, S. Morita, Ó. Custance
    Chemical identification of individual surface atoms by atomic force microscopy.
    Nature 446 (2007) 64-67.
  24. Y.Sugimoto, P. Jelínek, P.Pou, M.Abe, S.Morita, R. Perez, O. Custance
    Mechanism for Room-Temperature Single-Atom Lateral Manipulations on Semiconductors using Dynamic force Microscopy.
    Physical Review Letters 98 (2007) 106104-1-106104-4.
  25. M.A. Basasnta, Y.J. Dappe, P. Jelínek, J. Ortega
    Optimized atomic-like orbitals fo first-principles tight-binding molecular dynamics.
    Computational Materials Science 39 (2007) 759-766.
  26. P. Jelínek, H. Wang, J. P. Lewis, O.F. Sankey, J.Ortega
    Multicenter approach to the exchange-correlation interactions in ab initio tight-binding methods
    Physical Review B 71 (2005) 235101(1)-235101(9).
  27. P. Jelínek, R. Pérez, J. Ortega, F. Flores
    Universal behaviour in the final stage of the breaking process for metal nanowires
    Nanotechnology 16 (2005) 1023-1028.
  28. J. M. Blanco, C. González, P. Jelínek, J. Ortega, F. Flores, R. Pérez, M. Rose, M. Salmeron, J. Méndez, J. Wintterlin, G. Ertl
    Origin of contrast in STM images of oxygen on Pd(111) and its dependence on tip structure and tunneling parameters
    Physical Review B 71 (2005) 113402(1)-113402(4).
  29. P. Jelínek, M. Ondřejček, J. Slezák, V. Cháb
    Experimental and theoretical studies of single Pb atom dynamics in one Si(111)-(7x7) unit cell.
    Surf. Sci. 544 (2003) 339 - 347
  30. P. Jelínek, R. Pérez, J. Ortega, F. Flores
    First-principles simulations of the stretching and final breaking of Al nanowires: Mechanical properties and electrical conductance
    Phys. Rev. B 68 (2003) 085403