1. A. Berdonces-Layunta, A. Matěj, A. Jiménez-Martín, J. Lawrence, M.S.G. Mohammed, T. Wang, B. J. Mallada Faes, B. De La Torre Cerdeño, A. Martínez, M. Vilas-Varela, R. Nieman, H. Lischka, D. Nachtigallová, D.Peña, P. Jelínek, D. G. de Oteyza
    The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern
    Nanoscale 16 (2024) 734-741.
  2. L. Wang, X. Peng, J. Su, J. Wang, A. J. Gallardo Caparrós, H. Yang, Q. Chen, P. Lyu, P. Jelínek, J. Liu, M.W. Wong, J. Lu
    Highly Selective On-Surface Ring-Opening of Aromatic Azulene Moiety
    Journal of the American Chemical Society 146 (2024) 1563-1571.
  3. Sh. Song, A. Pinar Solé, A. Matěj, G. Li, O. Stetsovych, D. Soler, H. Yang, M. Telychko, J. Li, M. Kumar, Q. Chen, S. Edalatmanesh, J. Brabec, L. Veis, J. Wu, P. Jelínek, J. Lu
    Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration
    Nature Chemistry 0 (2024) 1-5.
  4. F. Frezza, A. Matěj, A. Sánchez-Grande, M. Carrera, P. Mutombo, M. Kumar, D. Curiel, P. Jelínek
    On-Surface Synthesis of a Radical 2D Supramolecular Organic Framework
    Journal of the American Chemical Society 146 (2024) 3531-3538.
  5. K. Biswas, Q. Chen, S. Obermann, J. Ma, D. Soler‐Polo, J. Melidonie, A. Barragán, A. Sánchez‐Grande, K. Lauwaet, J.M. Gallego, R. Miranda, D. Écija, P. Jelínek, X. Feng, J.I. Urgel
    On‐Surface Synthesis of Non‐Benzenoid Nanographenes Embedding Azulene and Stone‐Wales Topologies
    Angewandte Chemie International Edition 63 (2024) e2023181-1- e2023181-9.
  6. R. Zuzak, M. Kumar, O. Stoica, D. Soler-Polo, J. Brabec, K. Pernal, L. Veis, R. Blieck, A. M. Echavarren, P. Jelínek, S. Godlewski
    On-Surface Synthesis and Determination of the Open-Shell Singlet Ground State of Tridecacene
    Angewandte Chemie International Edition 63 (2024) 202317091(1)-202317091(8).
  7. A. Cahlík, M. Ondráček, Christian Wäckerlin, Andres Pinar Solé, Olivier Siri, M. Švec, P. Jelínek
    Light-Controlled Multiconfigurational Conductance Switching in a Single 1D Metal-Organic Wire
    ACS Nano 1 (2024) 1-9.
  8. 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.
  9. 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).
  10. 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).
  11. 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.
  12. 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).
  13. 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.
  14. 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.
  15. 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).
  16. 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.
  17. P. Hapala, M. Ondráček, O. Stetsovych, M. Švec, P. Jelínek
    Simultaneous nc-AFM/STM Measurements with Atomic Resolution
    Noncontact Atomic Force Microscopy vol. 3
  18. 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.
  19. 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
  20. M. Ondráček, P. Pou, V. Rozsíval, C. González, P. Jelínek, R. Pérez
    Forces and Currents in Carbon Nanostructures: Are We Imaging Atoms?
    Physical Review Letters 106 (2011) 176101(1)-176101(4).
  21. A. Campbellová, M. Ondráček, P. Pou, R. Pérez, P. Klapetek, P. Jelínek
    'Sub-atomic' resolution of non-contact atomic force microscope images induced by a heterogeneous tip structure: a density functional theory study
    Nanotechnology 22 (2011) 295710(1)-295710(7).
  22. Z. Majzik, W. Kamiński, A.J. Weymouth, M. Vondráček, V. Zobač, M. Švec, A. Berkó, A.B. McLean, K.C. Prince, P. Jelínek, V. Cháb
    An Investigation of Ethylene Attachment to Si(111)–7 x 7 in the Restatom–Adatom Bridging Geometry: Electronic and Vibrational Properties
    Journal of Physical Chemistry C 115 (2011) 21791-21799.
  23. M. Ternes, C. González, Ch. P. Lutz, P. Hapala, F.J. Giessibel, P. Jelínek, A.J. Heinrich
    Interplay of Conductance, Force, and Structural Change in Metallic Point Contacts.
    Physical Review Letters 106 (2011) 016802(1)-016802(4).
  24. J.P. Lewis, P. Jelínek, J. Ortega, A.A. Demkov, D.G. Trabada, B. Haycock, H. Wang, G. Adams, J.K. Tomfohr, E. Abad, H. Wang, D.A. Drabold
    Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism
    physica status solidi (b) 248 (2011) 1989-2007.
  25. 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.
  26. 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.
  27. 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.
  28. 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).
  29. 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).
  30. 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).
  31. 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.
  32. 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.
  33. 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.
  34. 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.
  35. 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
  36. 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