Publikacje

Typ publikacji:Wszystko Książka Artykuł Rozdział
Lista filadelfijska:Wszystko Tak Nie  



2018
  • A. Łachmańska, P. Tecmer, O. Legeza, K. Bogusławska,
    "Elucidating cation-cation interactions in neptunyl dications using multireference ab initio theory"
    Inorg. Chem. (under revision) arXiv:1804.02241 [physics.chem-ph] (2018), 0-0





2017
  • K. Bogusławska, P. Tecmer,
    "Benchmark of dynamic electron correlation models for seniority-zero wavefunctions and their application to thermochemistry"
    J. Chem. Theory Comput. 13 (2017), 5966-5983
    DOI: 10.1021/acs.jctc.6b01134

  • K. Bogusławska, P. Tecmer,
    "Erratum: Orbital entanglement in quantum chemistry"
    Int. J. Quantum Chem. 117 (2017), e25455-2
    DOI: 10.1002/qua.25455

  • K. Bogusławska, Florent Real, P. Tecmer, Corinne Duperrouzel, Andre Severo Pereira Gomes, Örs Legeza, Paul W. Ayers, Valerie Vallet,
    "On the Multi-Reference Nature of Plutonium Oxides: PuO2 2+, PuO2, PuO3 and PuO2(OH)2"
    Phys. Chem. Chem. Phys. 19 (2017), 4317-4329
    DOI: 10.1039/C6CP05429C

  • P. Tecmer, K. Bogusławska, dr Dariusz Kędziera,
    "Relativistic Methods in Computational Quantum Chemistry"
    in J. Leszczynski (editor), Handbook of Computational Chemistry, Springer Netherlands, Dordrecht (2017), pp. 885-926
    ISBN: 978-3-319-27281-8





2016
  • K. Bogusławska, P. Tecmer, Ors Legeza,
    "Analysis of two-orbital correlations in wave functions restricted to electron-pair states"
    Phys. Rev. B. 94 (2016), 155126
    DOI: 10.1103/PhysRevB.94.155126

  • P. Tecmer, Sung W. Hong, K. Bogusławska,
    "Dissecting the cation-cation interaction between two uranyl units"
    Phys. Chem. Chem. Phys. 18 (2016), 18305-18311
    DOI: 10.1039/c6cp03542f





2015
  • Daniel Stuart, P. Tecmer, Paul W. Ayers, K. Bogusławska,
    "The effect of nitrido, azide, and nitrosyl ligands on magnetization densities and magnetic properties of iridium PNP pincer-type complexes"
    RSC Adv. 5 (2015), 84311-84320
    DOI: 10.1039/C5RA17507K