Publikacje

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



2017
  • 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, P. Tecmer,
    Benchmark of dynamic electron correlation models for seniority-zero wavefunctions and their application to thermochemistry
    J. Chem. Theory Comput. *00* (2017); 1 - 45

    DOI: 10.1021/acs.jctc.6b01134

  • 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 (2017); 885 - 926





2016
  • K. Bogusławska,
    Targeting excited states in all-trans polyenes with electron-pair states
    J. Chem. Phys. *145* (2016); 234105

    DOI: 10.1063/1.4972053

  • 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
  • K. Bogusławska, Paul W. Ayers,
    Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital Geminals
    J. Chem. Theory Comput. *11* (2015); 5252 - 5261

    DOI: 10.1021/acs.jctc.5b00776

  • Yilin Zhao, Pawel Tecmer, K. Bogusławska, Corinne Duperrouzel, Gergely Barcza, Örs Legeza, Paul W. Ayers,
    Dissecting the bond-formation process of d10-metal–ethene complexes with multireference approaches
    Theor. Chem. Acc. *134* (2015); 120

    DOI: 10.1007/s00214-015-1726-3

  • 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