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  • Agnieszka Gordon
    March 16, 2011


    I have published the results of my research in the field of quantum chemistry in several peer-reviewed academic international journals. Below you will find a list of papers I co-authored with my colleagues. Please note that I published under my maiden name (Abkowicz), the names after my first marriage (Abkowicz-Bienko, Bienko) and finally under my current name.

    S. Berski, Z. Latajka, A. J. Gordon,
    Ab Initio and Quantum Chemical Topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT,
    J. Comput. Chem., 31, (2010), 2555.

    16. S. Berski, Z. Latajka, A. J. Gordon,
    Quantum chemical topology study on the electronic structure of cis- and trans-FONO,
    J. Chem. Phys., 133, (2010), 034304.

    15. S. Berski, Z. Latajka, A. J. Gordon,
    Protocovalent N–O bonding in methyl nitrite (CH3ONO) and ethyl nitrite (C2H5ONO). Topological analysis of the electron localization function (ELF) and electron localizability indicator (ELI-D) functions,
    Chem. Phys. Lett., 493, (2010), 392.

    14. M. H. Palmer, A. J. Gordon,
    The electronic states of isothiazole studied by VUV absorption spectroscopy and ab initio configuration interaction methods,
    Chem. Phys., 342, (2007), 151.

    13. A. J. Gordon, M. H. Palmer,
    The molecular structures and electron distributions of the 1,8-bis-(dimethylamino)naphthalenes, studied by density functional and ab initio MP2 calculations,
    Mol. Phys., 103, (2005), 2773.

    12. V. A. Ozeryanskii, A. F. Pozharskii, A. J. Bieńko, W. Sawka-Dobrowolska, L. Sobczyk,
    [NHN]+ Hydrogen Bonding in Protonated 1,8-Bis(dimethylamino)-2,7-dimethoxynaphthalene. X-ray Diffraction, Infrared, and Theoretical ab Initio and DFT Studies.
    J. Phys. Chem. A, 109, (2005), 1637.

    11. N. A. Atamas, A. M. Yaremko, T. Seeger, A. Leipertz, A. Bieńko, Z. Latajka, H. Ratajczak, A. J. Barnes,
    A study of the Raman spectra of alkanes in the Fermi-resonance region.
    J. Mol. Struct., 708, (2004), 189.

    10. A. J. Bieńko, Z. Latajka, W. Sawka-Dobrowolska, L. Sobczyk, V.A Ozeryanski, A. F. Pozharski, E. Grech,
    Low barrier hydrogen-bond in protonated proton sponge. X-ray diffraction, infrared and theoretical ab initio and DFT studies,
    J. Chem. Phys., 119, (2003), 4313.

    9. A. J. Bieńko, Z. Latajka,
    Theoretical study on the structures and vibrational spectra of the H2SO4-(CO2)x (x=1,2) hydrogen bonded complexes,
    Chem. Phys. Lett., 374/5, (2003), 577.

    8. A J. Bieńko, Z. Latajka,
    Density functional studies of 1:1 and 1:2 sulfuric-acid complexes with carbon monoxide;
    Chem. Phys., 282, (2002), 207.

    7. N. A. Atamas, A. M. Yaremko, L. A. Bulanin, V. E. Pogorelov, S. Berski, , Z. Latajka, H. Ratajczak, A. Abkowicz-Bieńko.
    Anharmonic interactions and Fermi resonance in vibrational spectra of alcohols;
    J. Mol. Struct., 605, (2002), 187.

    6. Density functional study on phenol derivatives-ammonia complexes in the gas phase;
    A. J. Abkowicz-Bieńko, Z. Latajka,
    J. Phys. Chem., 104, (2000), 1004.

    5. Solvent effect on hydrogen-bonded ammonia-hydrogen halide complexes: continuum medium versus cluster model;
    A. Abkowicz-Bieńko, M. Biczysko, Z. Latajka,
    Comp. Chem., 24, (2000), 303.

    4. Density Functional Studies on the two conformers of 2-fluoro-4,6-dinitrophenol; vibrational assignment based on potential energy distribution;
    A. J. Abkowicz-Bieńko, D. C. Bienko, Z. Latajka,
    J. Mol. Struct., 552, (2000), 165.

    3. Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies;
    A. J. Abkowicz-Bieńko, Z. Latajka, D. C. Bienko, D. Michalska,
    Chem. Phys., 250, (1999), 123.

    2. Density Functional, Hartree-Fock and MP2 studies on the vibrational spectrum of phenol;
    D. Michalska, D. C. Bienko, A. J. Abkowicz-Bienko, Z. Latajka,
    J. Phys. Chem., 100, (1996), 17786.

    1. Site-site function and successive reaction counterpoise calculation of basis set superposition error for proton transfer;
    A. J. Abkowicz, Z. Latajka, S. Scheiner, G. Chalasinski,
    J. Mol. Struct. (Theochem), 342, (1995), 153.

    I delivered numerous lectures and oral presentations which would produce too long a list to publish but I would share my invited lectures, which I am particularly proud about, with you here.

    Invited Talks

    1. A.J. Bienko, Theoretical study of the prototypical proton sponge [1,8-is(dimetyloamino)naphtalene (DMAN)] and its protonated form in the ground and excited states, TAM (TRACS - ACCESS - MINOS) User Group Meeting 2003, 16 May 2003, Barcelona, Spain.

    2. A.J. Bienko, M. Biczysko, Theoretical modelling of proton transfer reaction in polar solvent, IHP User Group Meeting, Cineca, Cassalecchio di Reno, Bologna, Italy, June 2002.

    I was also recognized for my research work and awarded grants to pursue my projects in collaboration with other researchers abroad

    Grants and Awards

    • 2004: Joint British Council and Polish Institute for Information and Technology grant for Young Scientists for British-Polish collaboration held in School of Chemistry, University of Edinburgh, Scotland.
    • 2004: HPC-Europa grant at Edinburgh Parallel Computer Centre (EPCC), under the European Community programme
    • 2002: TRACS grant from the EPCC under the framework of the ‘European Community-Access to Research Infrastructure Action of The Improving Human Potential Programme’.
    • 2002: MINOS grant from CINECA Parallel Computer Centre in Bologna (the European Community-Access to Research Infrastructure Action of The Improving Human Potential Programme)
    • 2002: The Head of Chemistry Department’s award for scientific achievements, University of Wroclaw.