Authors: Malijevský, A. (Alexandr), Parry, A.O., Pospíšil, M.
Subject Terms: capillary condensation, Kelvin equation, density functional theory
Relation: urn:pissn: 2470-0045; urn:eissn: 2470-0053; http://hdl.handle.net/11104/0278398
Authors: Malijevský, A. (Alexandr), Parry, A.O., Pospíšil, M.
Subject Terms: wetting, scaling, density functional theory
Relation: urn:pissn: 2470-0045; urn:eissn: 2470-0053; http://hdl.handle.net/11104/0278400
Subject Terms: rare-earth adatoms, density-functional theory, single-atom magnets
Relation: urn:pissn: 2045-2322; urn:eissn: 2045-2322; http://hdl.handle.net/11104/0277775
Authors: Řezáč, J. (Jan), de la Lande, A.
Subject Terms: adapted perturbation chemistry, density functional theory, zeta valence quality
Relation: info:eu-repo/semantics/altIdentifier/pmid/27929163; urn:pissn: 1463-9076; urn:eissn: 1463-9084; http://hdl.handle.net/11104/0271382
Authors: Zitolo, A., Ranjbar-Sahraie, N., Mineva, T., Li, J., Jia, J., Stamatin, S. (Serban), Harrington, G. F., Lyth, S. M., Krtil, P. (Petr), Mukerjee, S., Fonda, E., Jaouen, F.
Subject Terms: ray-absorption spectroscopy, density-functional theory, body distribution-functions, electrolyte fuel-cells
Relation: urn:pissn: 2041-1723; urn:eissn: 2041-1723; http://hdl.handle.net/11104/0276689
Authors: De La Torre Cerdeño, B. (Bruno), Švec, M. (Martin), Foti, G. (Giuseppe), Krejčí, O. (Ondřej), Hapala, P. (Prokop), Garcia-Lekue, A., Frederiksen, T., Zbořil, R., Arnau, A., Vázquez, H. (Héctor), Jelínek, P. (Pavel)
Subject Terms: noncontact atomic force microscopy, first principles calculations, density functional theory, nonequilibrium Green's function, scanning probe microsco
Relation: info:eu-repo/grantAgreement/EC/H2020/709114/EU//HEATEXMOL; urn:pissn: 0031-9007; urn:eissn: 1079-7114; http://hdl.handle.net/11104/0279954
Authors: Rokob, T. A., Chalupský, J. (Jakub), Bím, D. (Daniel), Andrikopoulos, Prokopis C., Srnec, M. (Martin), Rulíšek, L. (Lubomír)
Subject Terms: non-heme iron, density functional theory, multireference methods, dioxygen activation, reactivity
Relation: info:eu-repo/semantics/altIdentifier/pmid/27229513; urn:pissn: 0949-8257; urn:eissn: 1432-1327; http://hdl.handle.net/11104/0262886
Subject Terms: adapted perturbation theory, density functional theory, Kohn-Sham orbitals
Relation: info:eu-repo/semantics/altIdentifier/pmid/26839928; urn:pissn: 1359-7345; urn:eissn: 1364-548x; http://hdl.handle.net/11104/0259155
Authors: Pecina, A. (Adam), Meier, R., Fanfrlík, J. (Jindřich), Lepšík, M. (Martin), Řezáč, J. (Jan), Hobza, P. (Pavel), Baldauf, C.
Subject Terms: empirical scoring functions, density functional theory, binding affinity
Relation: info:eu-repo/semantics/altIdentifier/pmid/26821703; urn:pissn: 1359-7345; urn:eissn: 1364-548x; http://hdl.handle.net/11104/0259109
Authors: Malijevský, A. (Alexandr), Parry, A.O.
Subject Terms: wetting transitions, wedges, density functional theory
Relation: urn:pissn: 1539-3755; http://hdl.handle.net/11104/0259723
Authors: Malijevský, A. (Alexandr), Parry, A.O.
Subject Terms: phase behaviour, bridging, density functional theory
Relation: urn:pissn: 1539-3755; http://hdl.handle.net/11104/0259722
Authors: Malijevský, A. (Alexandr)
Subject Terms: nanoparticles, colloids, density functional theory
Relation: urn:pissn: 0026-8976; urn:eissn: 1362-3028; http://hdl.handle.net/11104/0259721
Authors: Klimeš, J. (Jiří), Kaltak, M., Maggio, E., Kresse, G.
Subject Terms: Density functional theory, Green's function methods, Lattice constants
Relation: urn:pissn: 0021-9606; urn:eissn: 1089-7690; http://hdl.handle.net/11104/0248798
Subject Terms: BINUCLEAR PLATINUM(II) PHOTOCHEMISTRY, DENSITY-FUNCTIONAL THEORY, SPECTROSCOPIC PROPERTIES
Relation: urn:pissn: 0020-1669; urn:eissn: 1520-510x; http://hdl.handle.net/11104/0246010
Subject Terms: diamond, naoparticules, polypyrrole, density functional theory, charge transfer
Relation: urn:isbn: 978-80-87294-71-0; http://hdl.handle.net/11104/0274533
Availability: http://hdl.handle.net/11104/0274533
Subject Terms: molecular-dynamics simulations, particle mesh ewald, density-functional theory
Relation: urn:pissn: 1549-9618; urn:eissn: 1549-9626; http://hdl.handle.net/11104/0280951
Authors: Cassone, G. (Giuseppe), Šponer, J. (Jiří), Saija, F., Di Mauro, E., Saitta, A. M., Šponer, Judit E.
Subject Terms: density-functional theory, liquid formamide, 2,3-cyclic nucleotides, molecular-dynamics
Relation: urn:pissn: 1463-9076; urn:eissn: 1463-9084; http://hdl.handle.net/11104/0280953
Authors: Řezníček, R., Chlan, V., Štěpánková, H., Novák, P. (Pavel), Żukrowski, J., Kozlowski, A., Kakol, Z., Tarnawski, Z., Honig, J.M.
Subject Terms: magnetite, Mossbauer effect, density functional theory, modelling
Relation: urn:pissn: 2469-9950; urn:eissn: 2469-9969; http://hdl.handle.net/11104/0278815
Authors: Wilhelm, F., Sanchez, J.P., Brison, J.P., Aoki, D., Shick, A. (Alexander), Rogalev, A.
Subject Terms: ferromagnetic superconductors, density functional theory
Relation: urn:pissn: 2469-9950; urn:eissn: 2469-9969; http://hdl.handle.net/11104/0277556
Authors: Řezáč, J. (Jan)
Relation: info:eu-repo/semantics/altIdentifier/pmid/28949517; urn:pissn: 1549-9618; urn:eissn: 1549-9626; http://hdl.handle.net/11104/0276579