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Sławomir Berski, D.Sc.



Associate Professor, University Professor
B.Sc. 1992, M.Sc. 1994, Ph.D. 2000, D.Sc. 2012.
Member of Editorial Board Physical Chemistry Division in The Scientific World Journal
Member of Editorial Board in Advances in Computational Chemistry


The list of publications

    84. "Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study",
    I. M. Ndassa, A. I. Adjieufack, J. Mbadcam Ketcha, S. Berski, M. Ríos-Gutiérrez, L. R. Domingo,
    Int. J. Quantum Chem., 117, 24, (2017), xxx-xxx. In Press DOI: 10.1002/qua.25451

    83. "Characterisation of the reaction mechanism between ammonia and formaldehyde from the topological analysis of ELF and catastrophe theory perspective",
    A. Ćmikiewicz, A. J. Gordon, S. Berski,
    Struct. Chem., 29, (2017), 243–255.

    82. "Dimeric nature of N-coordinated Mg and Ca ions in metaloorganic compounds. The topological analysis of ELF functions for Mg–Mg and Ca–Ca bonds",
    S. Berski, P. Durlak,
    Polyhedron, 129, (2017), 22-29.

    81. "Mechanism of Claisen rearrangement of allyl phenyl ether from perspective of topological analysis of ELF function",
    S. Berski, P. Durlak,
    New J. Chem., 40, (2016), 8717-8726.

    80. "Curly arrows meet electron density transfers in chemical reaction mechanisms: from Electron Localization Function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation",
    J. Andrés, S. Berski, B. Silvi,
    Chem. Comm., 52, (2016), 8183-8195.

    79. "The electronic structure of the xenon insertion compounds XXe-MX2 (X= F, Cl, Br, I; M= B, Al, Ga)",
    E. Makarewicz, A. J. Gordon, S. Berski,
    Polyhedron, 117, (2016), 97-109.

    78. "On the nature of interactions in the F2OXe···NCCH3 complex : is there the Xe(IV)—N bond?",
    E. Makarewicz, J. Lundell, A. J. Gordon, S. Berski,
    J. Comput. Chem., 37(20), (2016), 1876–1886.

    77. "The nature of inter- and intramolecular interactions in F2OXe...HX (X= F, Cl, Br, I) complexes",
    E. Makarewicz, J. Lundell, A. J. Gordon, S. Berski,
    J. Mol. Model., 22(6), (2016), 1-11.

    76. "Diversity of the Nature of the Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of Topological Analysis of Electron Localisation Function (ELF)."
    S. Berski, A. J. Gordon
    in Springer book series, "Challenges and Advances in Computational Chemistry and Physics, 22, Applications of Topological Methods in Molecular Chemistry",
    PART III, Chapter 17. Springer-Verlag GmbH, April, 2016.
    Invited contribution

    75."How many electrons form the chemical bonds in the NgBeS (Ng=Ar, Kr, Xe) molecules? Topological study on the electron localisation function (ELF) and electron localizability indicator (ELI-D)"
    E. Makarewicz, A. J. Gordon, S. Berski,
    Struct. Chem., 27, (2016), 57-64.
    Special issue: a tribute to the life and scientific work of Professor Oleg V. Shishkin 

    74. "Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin",
    P. Durlak, S. Berski, Z. Latajka,
    Chem. Phys. Lett., 644, (2016), 5-13.

    73. "On the multiple B-O bonding using the topological analysis of electron localization function (ELF)",
    G. Mierzwa, A. J. Gordon, Z. Latajka, S. Berski,
    Comp. Theor. Chem., 1053, (2015), 130-141.
    (Special Issue: Topological Methods)

    72. "The DFT Study on the Reaction Between Benzaldehyde and 4-amine-4H-1,2,4-triazole and Their Derivatives as a Source of Stable Hemiaminals and Schiff bases. Effect of Substitution and Solvation on the Reaction Mechanism'.
    S. Berski, A. J. Gordon L. Z. Ciunik
    J. Mol. Model., 21, 3, (2015), 21-57.

    71. "The mechanism of the formation of the hemiaminal and Schiff base from the benzaldehyde and triazole studied by means of the topological analysis of Electron Localization Function and catastrophe theory.",
    S. Berski, L. Ciunik,
    Mol. Phys., 113, 8, (2015), 765-781.  

    70. "Nature of the Bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) Molecules. Topological Study on Electron Density and the Electron Localization Function (ELF)",
    E. Makarewicz , A. J. Gordon, S. Berski,
    J. Phys. Chem. A, 119, 11, (2015), 2401-2412.
    (Special issue: Markku Räsänen's Festschrift)

    69. "Effects of Xenon Insertion into Hydrogen Bromide. Comparison of the Electronic Structure of the HBr···CO2 and HXeBr···CO2 Complexes Using Quantum Chemical Topology Methods: Electron Localization Function, Atoms in Molecules and Symmetry Adapted Perturbation Theory"
    E. Makarewicz, A. J. Gordon, K. Mierzwicki, Z. Latajka, S. Berski,
    J. Phys. Chem. A, 118, (2014), 3980-3989.

    68. "Electron Localization Function Study on the Chemical Bonding in a Real Space for Tetrahedrane, Cubane, Adamantane, and Dodecahedrane and Their Perfluorinated Derivatives and Radical Anions"
    S. Berski, A. J. Gordon, Z. Latajka,
    J. Phys. Chem. A, 118, (2014), 4147-4156.

    67. "Following the Molecular Mechanism for the NH3 + LiH → LiNH2 + H2 Chemical Reaction. A Study based on the joint use of the Quantum Theory of Atoms in Molecules (QTAIM) and Non-covalent Interaction Index (NCI)"
    J. Andrés, S. Berski, J. Contreras-García, P. Gonzalez-Navarrete,
    J. Phys. Chem. A, 118, (2014), 1663-1672.

    66. "Reaction of Atomic Hydrogen with Formic Acid"
    Q. Cao, S. Berski, Z. Latajka, M. Räsänen, L. Khriachtchev,
    Phys. Chem. Chem. Phys., 16, (2014), 5993-6001.

    65. "Matrix-isolation and computational study of the HXeY•••H2O complexes (Y = Cl, Br, and I)",
    M. Tsuge, S. Berski, M. Rasanen, Z. Latajka, L. Khriachtchev,
    J. Chem. Phys., 140, (2014), 044323-044332.

    64. "Tuning of character of the N-O bond in HONO from covalent to protocovalent by different types of intramolecular interactions",
    S. V. Shishkina, A. I. Slabko, S. Berski, Z. Latajka, O. V. Shishkin,
    J. Chem. Phys., 139, 12 (2013), 124308-124316.

    63. "Spectroscopic and computational characterization of the HCO...H2O complex",
    Q. Cao, S. Berski, M. Räsänen, Z. Latajka, L. Khriachtchev,
    J. Phys. Chem. A, 117, (2013), 4385-4393.

    62. "FONO: A difficult case for theory. The ELF and ELI-D topological studies on the chemical bonding using correlated wavefunctions",
    S. Berski, A. J. Gordon, Z. Latajka,
    J. Chem. Phys., 138, (2013), 134313-134321.

    61. "Experimental and Computational Study of the HXeI---HY Complexes (Y = Br and I)",
    M. Tsuge, S. Berski, M. Räsänen, Z. Latajka, L. Khriachtchev,
    J. Chem. Phys., 138, (2013), 104314-104323.

    60. "New insight into the electronic structure of Iron (IV)-oxo porphyrin Compound I. A quantum chemical topological analysis",
    I. Viciano, S. Berski, S. Martí, J. Andrés,
    J. Comput. Chem., 34, 9 (2013), 780-789.

    59. "Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory",
    P. González-Navarrete, L. R. Domingo, J. Andrés, S. Berski, B. Silvi,
    J. Comput. Chem., 33, 30 (2012) 2400-2411.

    58. "How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene",
    P. González-Navarrete, J. Andrés, S. Berski,
    J. Phys. Chem. Lett., 3 (2012) 2500-2505.

    57. "High Kinetic Stability of HXeBr upon Interaction with Carbon Dioxide: HXeBr···CO2 Complex in a Xenon Matrix and HXeBr in a Carbon Dioxide Matrix",
    M. Tsuge, S. Berski, R. Stachowski, M. Räsänen, Z. Latajka, L. Khriachtchev,
    J. Phys. Chem. A, 116, 18 (2012) 4510-4517.

    56. "Topological (ELF and ρ) study of the unusually long N--O bond in (CF3)2NO-NO",
    S. Berski, A. J. Gordon,
    Chem. Phys. Lett., 525-526 (2012) 24-31.

    55. "Nature of the Ring-closure Process Along the Rearrangement of Octa-1,3,5,7-tetraene to Cycloocta-1,3,5-triene from the Perspective of the Electron Localization Function and Catastrophe Theory",
    J. Andrés, S. Berski, L. R. Domingo, P. González-Navarrete,
    J. Comp. Chem., 33, 7 (2011) 748-756.

    54. "ELF study on intramolecular electron transfer in the QTTFQ and DBTTFI radical anions",
    J. Kalinowski , S. Berski, A. J. Gordon,
    J. Phys. Chem. A, 115 (2011) 13513-13522.

    53. "Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function",
    J. Andrés, S. Berski, L. R. Domingo, V. Polo, B. Silvi,
    Curr. Org. Chem., 15 (2011) 3566-3575.

    52. "Comparative density functional theory and post-Hartree-Fock (CCSD, CASSCF) studies on the electronic structure of halogen nitrites ClONO and BrONO using quantum chemical topology",
    S. Berski, A. J. Gordon,
    J. Chem. Phys., 135 (2011) 094303-094315.

    51. "On the multiple B-N bonding in boron compounds using the topological analysis of electron localization function (ELF)",
    S. Berski, Z. Latajka, A. J. Gordon,
    New. J. Chem., 35 (2011) 89-96.

    50. "Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO",
    S. Berski , Z. Latajka, A. J. Gordon,
    J. Comput. Chem., 32 (2011) 1528-1540.

    49. "Olefin epoxidation by molybdenum peroxo compound : molecular mechanism characterized by the electron localization function and catastrophe theory",
    S. Berski, F. Sensato, V. Polo, J. Andrés, V. S. Safont,
    J. Phys. Chem. A., 115 (2011) 514-522.

    48. "AIM and ELF analysis of the H-, Me-, and F-substituted FeIII-TAML complexes"
    K. Mierzwicki, S. Berski, Z. Latajka,
    Chem. Phys. Lett., 507 (2011) 29-36.

    47. "Oxygen bound iodine (O–I): The Electron Localization Function (ELF) study on bonding in cis- and trans-IONO "
    S. Berski, Z. Latajka, A. J. Gordon,
    Chem. Phys. Lett., 506 (2011) 15-21.

    46. "AIM and BET approach for ionic and covalent bond evolution in reaction of hydrogen elimination from ammonia and lithium hydride"
    J. Kalinowski, S. Berski, Z. Latajka,
    Chem. Phys. Lett., 501 (2011) 587-593.

    45. "Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase"
    P. Durlak, S. Berski, Z. Latajka,
    J. Mol. Model., 17 (2011) 2995-3004.

    44. "A mechanism of the 1,3-dipolar cycloaddition between the hydrogen nitryl HNO2 and acetylene HCCH. The electron localization function study on evolution of the chemical bonds",
    S. Berski, Z. Latajka,
    Int. J. Quantum. Chem., 111 (2011) 2378-2389.

    43. "Photophysical Properties of Dipeptides Containing Substituted 3-(Quinoxalin-6-yl) Alanine. Spectroscopic Studies and Theoretical Calculations",
    Ł. Winiewski, I. Deperasiska, A. Staszewska, P. Stefanowicz, S. Berski, P. Lipkowski, Z. Szewczuk, A.Szemik-Hojniak,
    J. Phys. Chem. A, 114 (2010) 9405-9412.

    42. "Ab Initio and Quantum Chemical Topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT",
    S. Berski, Z. Latajka, A. J. Gordon,
    J. Comput. Chem., 31 (2010) 2555-2567.

    41. "Quantum chemical topology study on the electronic structure of cis- and trans-FONO",
    S. Berski, Z. Latajka, A. J. Gordon,
    J. Chem. Phys., 133 (2010) 034304-034312.

    40. "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",
    S. Berski, Z. Latajka, A. J. Gordon,
    Chem. Phys. Lett., 493 (2010) 392-398.

    39. "Quantum chemical topology: The electronic structure of the alkaline nitrites MONO (M = Li, Na, K) studied by means of topological analysis of the electron localization function",
    S. Berski, Z. Latajka,
    Int. J. Quan. Chem., 110 (2010) 1890-1900.

    38. "A Car-Parrinello and Path Integral Molecular Dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate",
    P. Durlak, Z. Latajka, S. Berski,
    J. Chem. Phys., 131 (2009) 024308-024316.

    37. "Symmetry-Adapted Perturbation Theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr",
    J.Panek, S.Berski,
    Chem. Phys. Lett, 467 (2008) 41-45.

    36. "The structure and chemical bonding in the N2-CuX and N2···XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods",
    K. Kisowska, S. Berski, Z. Latajka,
    J. Comp. Chem., 29 (2008) 2677-2692.

    35. "The protocovalent N-O Bond: quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid H-O-N=O and its relevancy to the experiment",
    S. Berski, K. Mierzwicki, A. Bil, Z. Latajka,
    Chem. Phys. Lett., 460 (2008) 559-562.

    34. "Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron
    Localization Function topology" (review articles),
    V. Polo, J. Andres, S. Berski, L.R. Domingo, B. Silvi,
    J. Phys. Chem. A, 112 (2008) 7128-7136.

    33. “Electron localization function (ELF) study on intramolecular delocalization of the electron density in the H2X, H2C=X and XO2 (X = O, S, Se, Te) molecules: Role of the atomic core and lone pair”,
    S. Berski, G. Gajewski, Z. Latajka,
    J. Mol. Struct., 844–845 (2007) 278-285.

    32. „On three-electron bonds and hydrogen bonds in the open-shell complexes [H2X2](+) for X = F, Cl, and Br”,
    A. Bil, S. Berski, Z. Latajka,
    J. Chem. Inf. Model., 47 (2007) 1021-1030.

    31. “New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory”
    S. Berski, J. Andres, B. Silvi, L.R. Domingo,
    J. Phys. Chem., A 110 (2006) 13939-13947.

    30. “Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2H+NH3) – The electron localization function study”,
    S. Berski, Z. Latajka,
    Chem. Phys. Lett., 426 (2006) 273-279.

    29. “Quantum chemical study of the hydrogen-bonded HXeOH-H2O complex”,
    J. Lundell, S. Berski, A. Lignell, Z. Latajka,
    J. Mol. Struct., 790 (2006) 31-39.

    28. “The nature of the chemical bond in di- and polynuclear metal cluster complexes as depicted by the analysis of the electron localization function”,
    J. Andrés, S. Berski, M. Feliz, R. Llusar, F. Sensato, B. Silvi,
    Comptes rendus - Chimie, 8 (2005) 1400-1412.

    27. “A theoretical study on the gas phase reactions of the anions NbO3-, NbO5-, and NbO2(OH)2- with H2O and O2”,
    J. R. Sambrano, L. Garcia, J. Andrés, S. Berski, A. Beltrán,
    J. Phys. Chem., A 108 (2004) 10850-10860.

    26.”Understanding the molecular mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of the electron localization function and catastrophe theory”,
    V. Polo, J. Andrés, R. Castillo, S. Berski, B. Silvi,
    Chem. Eur. J., 10 (2004) 5165-5172.

    25. “Dominant role of C-Br…N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of Schiff-base-containing triazoles”,
    S. Berski, Z. Ciunik, K. Drabent, Z. Latajka, J. Panek,
    J. Phys. Chem., B 108 (2004) 12327-12332.

    24. “Toward understanding the electron density distribution in magnetic clusters: insight from the ELF and AIM analyses of ground-state Fe4”,
    S. Berski, G. L. Gutsev, M. D. Mochena, J. Andrés,
    J. Phys. Chem., A 108 (2004) 6025-6031.

    23. “The Joint Use of Catastrophe Theory and Electron Localization Function to Characterize Molecular Mechanisms. A Density Functional Study of the Diels-Alder Reaction between Ethylene and 1,3-butadiene”,
    S. Berski, J. Andrés, B. Silvi, L.R. Domingo,
    J. Phys. Chem., A107 (2003) 6014-6024.

    22. “Ab initio characterization of the xenon dihydride dimer – (HXeH)2”,
    J. Lundell, S. Berski, Z. Latajka,
    Chem.Phys. Lett., 371 (2003) 293-303.

    21. “Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols”,
    N. A. Atamas, A. M. Yaremko, L. A. Bulavin, V. E. Pogorelov, S. Berski, Z. Latajka, H. Ratajczak, A. Abkowicz-Bienko,
    J. Mol. Struct., 605 (2002) 187-198.

    20. “The nature of the Au-Rg bond in the [AuRg4]2+ (Rg = Ar, Kr and Xe) molecules”,
    S. Berski, Z. Latajka, J. Andrés,,
    Chem. Phys. Lett., 356 (2002) 483-489.

    19. “Topological analysis of the bonds in incomplete cuboidal [Mo3S4] clusters” ,
    M. Feliz, R. Llusar, J. Andrés, S. Berski, B. Silvi,
    New J. Chem., 26 (2002) 844-850.

    18. “The comparison of the lithium and hydrogen bonds in the (X---Li---X)- and (X---H---X)- (X= F, Cl and Br) complexes - the topological analysis of the Electron Localisation Function (ELF)”,
    S. Berski, Z. Latajka,
    Int. J. Quantum. Chem., 90 (2002) 1108-1120.

    17. “An AIM and ELF study of the Interaction between O2 and VxOy/NxOy+ (x=1-2;y=1-5) Clusters”,
    M. Catalayud, S. Berski, A. Beltran, J. Andrés,
    Theor. Chem. Acc., 108 (2002) 12-20.

    16. “The view on the C=N-O group in the RHC=NO (R=H, BH2, CH3, NH2, OH, F) iminoxy radicals by means of electron localisation function (ELF)”,
    S. Berski, A. R. Jaszewski, J. Jezierska ,
    Chem. Phys. Lett., 34 (2001) 168-178.

    15. “Electron localisation function (ELF) studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH and HXeSH”,
    S. Berski, Z. Latajka, B. Silvi, J. Lundell,
    J. Chem. Phys., 114 (2001) 4349-4358.

    14. ”The nature of binding in HRgY (Rg = Ar, Kr, Xe; Y = F, Cl ) compounds based on the topological analysis of the electron localisation function (ELF)”,
    S. Berski , B. Silvi, J. Lundell, S. Noury, Z. Latajka ,
    „New Trends in Quantum Systems in Chemistry and Physics, Vol. 1, p. 259-279, ed. J. Maruani et all., pub.: Kluwer Academic Publishers, 2001.

    13. “Dihydrogen-bonded mono- and dihydrates of xenon dihydride. An ab initio study”,
    J. Lundell, S. Berski, Z. Latajka,
    Phys. Chem.Chem. Phys. (PCCP) 2 (2000) 5521-5527.

    12. “Nature of chemical bonds in MCCH (M= Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density”,
    K. Mierzwicki, S. Berski, Z. Latajka,
    Chem. Phys. Lett., 331(2000) 538-546.

    11. ”A density functional study of the xenon dihydride - water complex” ,
    J. Lundell, S. Berski, Z. Latajka,
    J. Mol. Struct., 552 (2000) 223-232.

    10. “Topological aspects of protonation and hydrogen bonding: The dihydrogen bond case”
    F. Fuster, B. Silvi, S. Berski, Z. Latajka
    J. Mol. Struct., 555 (2000) 75-84.

    9. ”Density functional study of the Xe2H3+ cation”,
    J. Lundell, S. Berski, Z. Latajka,
    Chem. Phys., 247 (1999) 215-224.

    8. ”Bonding in hypohalous acids HOX (X=F, Cl and Br) from the topological analysis of the electron localisation function (ELF)”,
    S. Berski, B. Silvi, Z. Latajka, J. Leszczynski,
    J. Chem. Phys.,111 (1999) 2542-2555.

    7. “The oxygen-bound fluorine (O-F): ab initio investigations of the hypofluorous acid dimer - (HOF)2”,
    S. Berski, J. Lundell, Z. Latajka, J. Leszczynski,
    J. Phys. Chem. A 102 (1998) 10768-10776.

    6. “On the difference between hydrogen fluoride and hydrogen chloride crystals”,
    S. Berski, Z. Latajka,
    J. Mol. Struct., 450 (1998) 259-263.

    5. “Periodic Hartree-Fock studies of (HCl) chain”,
    S. Berski, Z. Latajka,
    Pol. J. Chem., 72 (1998) 1540-1550, Issue dedicated to the memory of prof. Włodzimierz Kołos

    4. “New aspects of weak C-H---π bonds: Intermolecular interactions between alicyclic and aromatic rings in crystals of small compounds, peptides and proteins”,
    Z. Ciunik, S. Berski, Z. Latajka, J. Leszczynski,
    J. Mol. Struct., 442 (1998) 125-134.

    3. “On the role of the basis set and electron correlation in the description of stacking interactions”,
    S. Berski, Z. Latajka,
    Comp. Chem., 21 (1997) 347-354.

    2. “Periodic Hartree-Fock study of (HF)chain”,
    S. Berski, Z. Latajka,
    J. Mol. Struct. (Theochem) 389 (1997) 147-154.

    1. “Density functional study of the H3N-Cl2 system - the importance of Hartree-Fock exchange in density functional methods”,
    Z. Latajka, S. Berski,
    J. Mol. Struct. (Theochem) 371 (1996) 11-16.