1. S.A. Khan, S. Azam, O. Šipr
    Interrelationship between structural, optical and transport properties of InP1-xBix: DFT approach
    Materials Science in Semiconductor Processing 41 (2016) 45-53.
  2. H. Sopha, A. Jäger, P. Knotek, K. Tesař, M. Jarošová, J. M. Macák
    Self-organized anodic TiO2 nanotube layers: Influence of the Ti substrate on nanotube growth and dimensions
    Electrochimica Acta 190 (2016) 744-752.
  3. K. Gholivand, A.A.E. Valmoozi, A. Gholami, M. Dušek, V. Eigner, S. Abolghasemi
    Synthesis, characterization, crystal structures, QSAR study and antibacterial activities of organotin bisphosphoramidates
    Journal of Organometallic Chemistry 806 (2016) 33-44.
  4. P. Slavík, M. Kohout, S. Böhm, V. Eigner, P. Lhoták
    Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation
    Chemical Communications 52 (2016) 2366-2369.
  5. I. Bartoš, O. Romanyuk, J. Houdková, P. P. Paskov, T. Paskova, P. Jiříček
    Electron band bending of polar, semipolar and non-polar GaN surfaces
    Journal of Applied Physics 119 (2016) 105303-1-105303-7.
  6. I. Boldog, P.J. Bereciartua, R. Bulánek, M. Kučeráková, M. Tomandlová, M. Dušek, J. Macháček, D. De Vos, T.Baše
    10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers
    CrystEngComm 18 (2016) 2036-2040.
  7. J. Majzlan, J. Kopecký Plášil, E. Dachs, A. Benisek, Ch. Bender Koch
    Crystal chemistry, Mössbauer spectroscopy, and thermodynamic properties of botryogen
    NEUES JAHRBUCH FUR MINERALOGIE-ABHANDLUNGEN 193 (2016) 147-159.
  8. C. Antunes Correa, M. Klementová, V. Dřínek, J. Kopeček, L. Palatinus
    Crystal structure redetermination of ε-Ni3Si2 from a single nanowire by dynamical refinement of precession electron diffraction data
    Journal of Alloys and Compounds 672 (2016) 505-509.
  9. P.S. Vachhani, O. Šipr, A.K. Bhatnagar, R.K. Ramamoorthy, R.J. Choudhary, D.M. Phase, G. Dalba, A. Kuzmin, F. Rocca
    Local structure and magnetization of ferromagnetic Cu-doped ZnO films: No magnetism at the dopant?
    Journal of Alloys and Compounds 678 (2016) 304-311.
  10. O. Šipr, S. Mankovsky, S. Polesya, S. Bornemann, J. Minár, H. Ebert
    Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers
    Physical Review B 93 (2016) 174409(1)-174409(13).
  11. S.Y. Ebrahimipour, I. Sheikhshoaie, J. Simpson, H. Ebrahimnejad, M. Dušek, N. Kharazmi, V. Eigner
    Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies
    New Journal of Chemistry 40 (2016) 2401-2412.
  12. E. Tieger, V. Kiss, G. Pokol, Z. Finta, M. Dušek, J. Rohlíček, E. Zmeškalová, P. Brázda
    Studies on the crystal structure and arrangement of water in sitagliptin L-tartrate hydrates
    CrystEngComm 18 (2016) 3819-3831.
  13. V. Petříček, V. Eigner, M. Dušek, A. Čejchan
    Discontinuous modulation functions and their application for analysis of modulated structures with the computing system JANA2006
    Zeitschrift für Kristallographie 231 (2016) 301-312.
  14. B. El Bali, M. Lachkar, R. Essehli, M. Dušek, J. Rohlíček, N. Mircescu, C. Haisch
    Crystal structure and physical study
    Journal of Molecular Structure 1123 (2016) 30-34.
  15. E. Zmeškalová, M. Hušák, L. Ridvan, M. Tkadlecová, J. Havlíček, M. Dušek
    Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation
    CrystEngComm 18 (2016) 4518-4529.
  16. J. Hrdý, J. Hrdá, P. Oberta
    The X-Ray Bichromator - theory and alignment
    Nuclear Instruments and Methods in Physics Research A A 834 (2016) 169-174.
  17. J. Donkeng Dazie, A. Liška, J. Ludvík, J. Fábry, M. Dušek
    A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1H-isoindol-1-one
    Acta Crystallographica Section C 72 (2016) 518-524.
  18. O. Romanyuk, I. Bartoš, J. Brault, P. De Mierry, T. Paskova, P. Jiříček
    GaN quantum dot polarity determination by X-ray photoelectron diffraction
    Applied Surface Science 389 (2016) 1156-1160.
  19. M. I. Sousa Henriques, D.I. Gorbunov, A.N. Ponomaryov, A. Saneei, M. Pourayoubi, M. Dušek, S. Zvyagin, M. Uhlarz, J. Wosnitza
    A monomeric copper-phosphoramide complex: Synthesis, structure, and electronic properties.
    Polyhedron 118 (2016) 154-158.
  20. A.D. Khalaji, S.J. Peyghoun, A. Akbari, N. Feizi, M. Dušek, V. Eigner
    1D polymeric copper(I) and dinuclear silver(I) complexes of a bidentate Schiff base ligand: Synthesis, spectroscopic characterization and thermal studies
    Polyhedron 119 (2016) 429-433.
  21. V. Goliáš, G. Tumurkhuu, P. Kohn, O. Šálek, J. Kopecký Plášil, R. Škoda, J. Soumar
    Construction of new houses on a uranium vein outcrop: a case study from the Czech Republic
    Nukleonika 61 (2016) 343-349.
  22. J. M. Macák, M. Jarošová, A. Jäger, H. Sopha, M. Klementová
    Influence of the Ti microstructure on anodic self-organized TiO2 nanotube layers produced in ethylene glycol electrolytes
    Applied Surface Science 371 (2016) 607-612.
  23. V. Petříček, M. Dušek, J. Kopecký Plášil
    Crystallographic computing system Jana2006: solution and refinement of twinned structures
    Zeitschrift für Kristallographie 231(10) (2016) 583-599.
  24. S.H. Ghoran, V. Atabaki, E. Babaei, S.R. Olfatkhah, M. Dušek, V. Eigner, A. Soltani, A.D. Khalaji
    Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin
    Bioorganic Chemistry 66 (2016) 27-32.
  25. F. Sabbaghi, M. Pourayoubi, M. Dušek, V. Eigner, S. Bayat, K. Damodaran, M. Nečas, M. Kučeráková
    Analysis of P–O–C, P–S–C and P–O–P angles: a database survey completed with four new X-ray crystal structures
    Structural Chemistry 27 (2016) 1831-1844.
  26. O. Šipr, J. Minár, H. Ebert
    Influence of spin-orbit ocupling on the magnetic dipole term Talpha
    Physical Review B 94 (2016) 144406(1)-144406(7).
  27. M. Jelínek, J. Zemek, T. Kocourek, J. Remsa, J. Mikšovský, P. Písařík, K. Jurek, Z. Tolde, M. Trávníčková, M. Vandrovcová, E. Filová
    Dual laser deposition of Ti:DLC composite for implants
    Laser Physics 26 (2016) 105605(1)-105605(8).
  28. S.A. Khan, P. Blaha, H. Ebert, J. Minár, O. Šipr
    Magnetocrystalline anisotropy of FePt: A detailed view
    Physical Review B 94 (2016) 144436(1)-144436(10).
  29. W. Khan, S.B. Betzler, O. Šipr, J. Ciston, P. Blaha, Ch. Scheu, J. Minar
    Theoretical and Experimental Study on the Optoelectronic Properties of Nb3O7(OH) and Nb2O5 Photoelectrodes
    Journal of Physical Chemistry C 120 (2016) 23329-23338.
  30. O. Šipr, J. Vackář, A. Kuzmin
    Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K -edge of (creat)2CuCl4
    Journal of Synchrotron Radiation 23 (2016) 1433-1439.
  31. P. Brázda, L. Palatinus, K. Knížek, J. Buršík
    Calcium-induced cation ordering and large resistivity decrease in Pr0.3CoO2
    Journal of Physics and Chemistry of Solids 96-97 (2016) 10-16.
  32. L. Červinka, P. Holba
    CdAs2-based glasses: relation to the equilibrium crystalline phases
    Physics and Chemistry of Glasses 57 (2016) 201-205.
  33. O. Romanyuk, P. Jiříček, J. Zemek, J. Houdková, K. Jurek, O. Gedeon
    Irradiation of potassium-silicate glass surfaces: XPS and REELS study
    Surface and Interface Analysis 48 (2016) 543-546.
  34. Ch.M. Wallen, L. Palatinus, J. Bacsa, Ch.C. Scarborough
    Hydrogen Peroxide Coordination to Cobalt(II) Facilitated by Second-Sphere Hydrogen Bonding
    Angewandte Chemie International Edition 55 (2016) 11902-11906.
  35. G. Steciuk, P. Boullay, A. Pautra, N. Barrier, V. Caignaert, L. Palatinus
    Unusual Relaxor Ferroelectric Behavior in Stairlike Aurivillius Phases
    Inorganic Chemistry 55 (2016) 8881-8891.
  36. E. Trzop, D. Zhang, L. Pineiro-Lopez, F.J. Valverde-Munoz, M.C. Munoz, L. Palatinus, L. Guerin, H. Cailleau, J.A. Real, E. Collet
    First Step Towards a DevilÏs Staircase in Spin-Crossover Materials
    Angewandte Chemie International Edition 55 (2016) 8675-8679.
  37. X. Zhang, H. Zhao, L. Palatinus, K.J. Gagnon, J. Bacsa, K.R. Dunbar
    Self-Assembly of Organocyanide Dianions and Metal–Organic Macrocycles into Polymeric Architectures Including an Unprecedented Quadruple Helical Aperiodic Structure
    Crystal Growth & Design 16 (2016) 1805-1811.
  38. M. Colmont, L. Palatinus, M. Huve, H. Kabbour, S. Saitzek, N. Dielal, P. Roussel
    On the Use of Dynamical Diffraction Theory To Refine Crystal Structure from Electron Diffraction Data: Application to KLa5O5(VO4)2, a Material with Promising Luminescent Properties
    Inorganic Chemistry 55 (2016) 2252-2260.
  39. J. Majzlan, L. Palatinus, J. Kopecký Plášil
    Crystal structure of Fe2(AsO4)(HAsO4)(OH)(H2O)3, a dehydration product of kaňkite
    European Journal of Mineralogy 28 (2016) 63-70.
  40. P. Škácha, J. Sejkora, L. Palatinus, E.Makovicky, J. Kopecký Plášil, I. Macek, V. Goliáš
    Hakite from Příbram, Czech Republic: compositional variability, crystal structure and the role in Se mineralization
    Mineralogical Magazine 80 (2016) 1115-1128.
  41. M. Gemmi, M. Merlini, L. Palatinus, P. Fumagalli, M. Hanfland
    Electron diffraction determination of 11.5 Å and HySo structures: Candidate water carriers to the Upper Mantle
    American Mineralogist 101 (2016) 2645-2654.
  42. Z. Zhou, L. Palatinus, J. Sun
    Structure determination of modulated structures by powder X-ray diffraction and electron diffraction
    Inorganic Chemistry 3 (2016) 1351-1362.
  43. J. Rohlíček, E. Zmeškalová, M. Babor, J. Čejka
    CrystalCMP: an easy-to-use tool for fast comparison of molecular packing
    Journal of Applied Crystallography 49 (2016) 2172-2183.
  44. R. Bikas, M. Ghorbanloo, S. Jafari, V. Eigner, M. Dušek
    Catalytic oxidation of olefins and sulfides in the presence of hydrazone-oxidovanadium(V) complex containing VOCl2+ core
    Inorganica Chimica Acta 453 (2016) 78-85.
  45. L. Kerner, K. Gmucova, J. Kožíšek, V. Petříček, M. Putala
    Easily oxidizable triarylamine materials with naphthalene and binaphthalene core: structure-properties relationship
    Tetrahedron 72 (2016) 7081-7092.
  46. M.D. Welch, L. Bindi, V. Petříček, J. Kopecký Plášil
    Vacancy pairing and superstructure in the highpressure silicate K1.5Mg2Si2O7H0.5: a new potential host for potassium in the deep Earth
    Acta Crystallographica Section B 72 (2016) 822-827.
  47. S. Singh, S.W. D’Souza, J. Nayak, E. Suard, L. Chapon, A. Senyshyn, V. Petříček, Y. Skourski, M. Nicklas, C. Felser, S. Chadov
    Room-temperature tetragonal non-collinear Heusler antiferromagnet Pt2MnGa
    Nature Communications 7 (2016) 12671(1)-12671(6).
  48. E. Tieger, V. Kiss, G. Pokol, Z. Finta, J. Rohlíček, E. Zmeškalová, M. Dušek
    Rationalization of the formation and stability of bosutinib solvated forms
    CrystEngComm 18 (2016) 9260-9274.
  49. J. Holaň, E. Zmeškalová, L. Heraud, D. Baltes, J. Rohlíček, O. Dammer, L. Ridvan, F. Štěpánek
    Polymorphic Crystallization and Structural Aspects of Agomelatine Metastable Form X Prepared by Combined Antisolvent/Cooling Process
    Organic Process Research & Development 20 (2016) 33-43.
  50. J. Hybler, J. Sejkora, V. Venclík
    Polytypism of cronstedtite from Pohled, Czech Republic
    European Journal of Mineralogy 28 (2016) 765-775.