Collect. Czech. Chem. Commun. 1998, 63, 1202-1212

Reliability of DFT Methods for Description of Cu Sites and Their Interaction with NO in Zeolites

Dana Nachtigallováa, Markéta Davidováb and Petr Nachtigalla

a J. Heyrovský Institute of the Academy of Sciences of the Czech Republic, 182 23 Prague 8,Czech Republic
b Department of Chemical Technology, University of Pardubice, 532 10 Pardubice, Czech Republic

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Other CCCC articles of these authors

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    2011, Vol. 76, Issue 6, pp. 669–682 [Abstract]
  • Tomáš Zelený, Pavel Hobza, Dana Nachtigallová*, Matthias Ruckenbauer and Hans Lischka*
    Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
    2011, Vol. 76, Issue 6, pp. 631–643 [Abstract]
  • Jan Kučera and Petr Nachtigall*
    Theoretical Study of Pyrrole Interaction with Alkali Metal Exchanged Zeolites: Investigation of the Reliability of Cluster and Periodic Models
    2003, Vol. 68, Issue 10, pp. 1848–1860 [Abstract]
  • Dana Nachtigallová, Petr Slavíček, Petr Nachtigall and Pavel Jungwirth
    Water Photolysis in Rare Gas Environment: The CASPT2 Excited State H2O(A)-Ar Potential
    1998, Vol. 63, Issue 9, pp. 1321–1328 [Abstract]
  • Jiří Pancíř, Ivana Haslingerová and Petr Nachtigall
    Quantum chemical topological study of interaction of carbon monoxide on the Pd (112) surface
    1988, Vol. 53, Issue 9, pp. 2064–2072 [Abstract]