S. Berski

发表

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. Gordon, K. Mierzwicki, 2014, The journal of physical chemistry. A.

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, B. Silvi, S. Berski, 2016, Chemical communications.

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

Juan Andrés, Slawomir Berski, Luis R. Domingo, 2003 .

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 noncovalent interaction (NCI) index.

J. Contreras-Garcı́a, J. Andrés, S. Berski, 2014, The journal of physical chemistry. A.

Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function

L. Domingo, J. Andrés, B. Silvi, 2011 .

The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods

A. Gordon, S. Berski, Grzegorz Mierzwa, 2020, Journal of Molecular Modeling.

On the multiple BO bonding using the topological analysis of Electron Localisation Function (ELF)

A. Gordon, Z. Latajka, S. Berski, 2015 .

On the multiple B–N bonding in boron compounds using the topological analysis of electron localization function (ELF)

A. Gordon, Z. Latajka, S. Berski, 2011 .

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, B. Silvi, S. Berski, 2005 .

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.

A. Gordon, S. Berski, 2011, The Journal of chemical physics.

Dominant role of C-Br...N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of schiff-base-containing triazoles

Z. Ciunik, Z. Latajka, S. Berski, 2004 .

Electron localization function studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH

B. Silvi, Z. Latajka, S. Berski, 2001 .

Matrix-isolation and computational study of the HXeY⋯H2O complexes (Y = Cl, Br, and I).

M. Räsänen, L. Khriachtchev, Z. Latajka, 2014, The Journal of chemical physics.

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. Räsänen, L. Khriachtchev, Z. Latajka, 2012, The journal of physical chemistry. A.

The mechanism of Claisen rearrangement of allyl phenyl ether from the perspective of topological analysis of the ELF

S. Berski, P. Durlak, 2016 .

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

Z. Latajka, S. Berski, 2011 .

A study on the condensation reaction of aryl substituted 4-amine-1,2,4-triazole with benzaldehydes: Structures and spectroscopic properties of schiff bases and stable hemiaminals

Z. Ciunik, S. Berski, K. Wajda-Hermanowicz, 2016 .

The electronic structure of molecules with the BF and BCl bond in light of the topological analysis of electron localization function: Possibility of multiple bonds?

A. Gordon, S. Berski, Grzegorz Mierzwa, 2018, International Journal of Quantum Chemistry.

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. Gordon, S. Berski, 2015, The journal of physical chemistry. A.

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.

A. Gordon, Z. Latajka, S. Berski, 2014, The journal of physical chemistry. A.

FONO: a difficult case for theory. The ELF and ELI-D topological studies on the chemical bonding using correlated wavefunctions.

A. Gordon, Z. Latajka, S. Berski, 2013, The Journal of chemical physics.

The protocovalent NO bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid HONO and its relevancy to the experiment

K. Mierzwicki, Z. Latajka, S. Berski, 2008 .

Comparison of lithium and hydrogen bonds in (X···Li···X)− and (X···H···X)− (XF, Cl and Br) complexes: Topological analysis of electron localization function

Z. Latajka, S. Berski, 2002 .

Theoretical insights and quantitative prediction of the nature of boron–chalcogen (O, S, Se, Te) interactions using the electron density and the electron localisation function (ELF)

A. Gordon, S. Berski, M. Michalski, 2021, Polyhedron.

Topological analysis of the bonds in incomplete cuboidal [Mo3S4] clusters

J. Andrés, B. Silvi, S. Berski, 2002 .

Spectroscopic and computational characterization of the HCO···H2O complex.

Qian Cao, M. Räsänen, L. Khriachtchev, 2013, The journal of physical chemistry. A.

Ab initio characterization of the xenon dihydride dimer – (HXeH)2

Z. Latajka, S. Berski, J. Lundell, 2003 .

Bonding in hypohalous acids HOX (X=F, Cl, Br, and I) from the topological analysis of the electron localization function

J. Leszczynski, B. Silvi, Z. Latajka, 1999 .

Quantum chemical study of the hydrogen-bonded HXeOH–H2O complex

Z. Latajka, S. Berski, A. Lignell, 2006 .

The electronic structure of the xenon insertion compounds XXe–MX2 (X = F, Cl, Br, I; M = B, Al, Ga)

E. Makarewicz, A. Gordon, S. Berski, 2016 .

A density functional study of the xenon dihydride–water complex

Z. Latajka, S. Berski, J. Lundell, 2000 .

Dihydrogen-bonded complexes of xenon dihydride with water: Ab initio calculations and topological analysis of electron localisation function (ELF)

Z. Latajka, S. Berski, J. Lundell, 2000 .

Symmetry-adapted perturbation theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr

S. Berski, J. Panek, 2008 .

Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study

L. Domingo, M. Ríos‐Gutiérrez, S. Berski, 2017 .

How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene.

J. Andrés, S. Berski, P. González-Navarrete, 2012, The journal of physical chemistry letters.

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 localisation function and catastrophe theory

S. Berski, L. Ciunik, 2015 .

The view on the CN–O group in the RHCNO (R=H, BH2,CH3,NH2,OH,F) iminoxy radicals by means of electron localisation function (ELF)

S. Berski, J. Jezierska, A. Jaszewski, 2001 .

Topological analysis of electron localisation function: Unlocking the nature of B C chemical bond. Possible existence of multiple bonds B C and B C

A. Gordon, S. Berski, Grzegorz Mierzwa, 2019, Polyhedron.

Is It Conjugated or Not? The Theoretical and Experimental Electron Density Map of Bonding in p-CH3CH2COC6H4-C≡C-C≡C-p-C6H4COCH3CH2

S. Szafert, S. Berski, T. Lis, 2020, Molecules.

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, 2017 .

Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case

B. Silvi, Z. Latajka, S. Berski, 2000 .

On the difference between hydrogen fluoride and hydrogen chloride crystals

Z. Latajka, S. Berski, 1998 .

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

Juan Andrés, Patricio González-Navarrete, Slawomir Berski, 2012, J. Comput. Chem..

A Car-Parrinello and path integral molecular dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate.

Z. Latajka, S. Berski, P. Durlak, 2009, The Journal of chemical physics.

Density functional study of the Xe2H3+ cation

Z. Latajka, S. Berski, J. Lundell, 1999 .

Reaction of atomic hydrogen with formic acid.

Qian Cao, M. Räsänen, L. Khriachtchev, 2014, Physical chemistry chemical physics : PCCP.

On Three-Electron Bonds and Hydrogen Bonds in the Open-Shell Complexes [H2X2]+ for X = F, Cl, and Br†

Zdzislaw Latajka, Slawomir Berski, Andrzej Bil, 2007, J. Chem. Inf. Model..

Density functional study of the H3NCl2 system—the importance of Hartree-Fock exchange in density functional methods

Z. Latajka, S. Berski, 1996 .

New insight into the electronic structure of iron(IV)‐oxo porphyrin compound I. A quantum chemical topological analysis

Sergio Martí, Ignacio Viciano, Slawomir Berski, 2013, J. Comput. Chem..

On the Role of the Basis Set and Electron Correlation in the Description of Stacking Interactions

Zdzislaw Latajka, Slawomir Berski, Z. Latajka, 1997, Comput. Chem..

Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

Zdzislaw Latajka, Slawomir Berski, Agnieszka J. Gordon, 2011, J. Comput. Chem..

In the search for ditriel B⋯Al non-covalent bonding

A. Gordon, S. Berski, 2021, New Journal of Chemistry.

The nature of the triple B B, double, B B, single, B–B, and one-electron, B.B boron-boron bonds from the topological analysis of electron localisation function (ELF) perspective

A. Gordon, S. Berski, Grzegorz Mierzwa, 2020 .

Topological analysis of the electron localisation function (ELF) applied to the electronic structure of oxaziridine: the nature of N-O bond

A. Gordon, S. Berski, M. Michalski, 2019, Structural Chemistry.

On the nature of interactions in the F2OXe…NCCH3 complex: Is there the Xe(IV)N bond?

Jan Lundell, Slawomir Berski, Agnieszka J. Gordon, 2016, J. Comput. Chem..

Ab Initio and Quantum Chemical Topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT

Zdzislaw Latajka, Slawomir Berski, Agnieszka J. Gordon, 2010, J. Comput. Chem..

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

A. Gordon, Z. Latajka, S. Berski, 2010 .

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

Z. Latajka, S. Berski, 2009 .

New aspects of weak CH⋯π bonds: intermolecular interactions between alicyclic and aromatic rings in crystals of small compounds, peptides and proteins

Z. Ciunik, J. Leszczynski, Z. Latajka, 1998 .

N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis

S. Berski, J. Ejfler, D. Jędrzkiewicz, 2020, Macromolecules.

Why are rhodanines less efficient reagents in Diels–Alder reactions than isorhodanines? A quantum chemical study

S. Berski, W. Tejchman, M. Michalski, 2019, Journal of Molecular Modeling.

Understanding the molecular mechanism of the chlorine atom transfer between ammonia and hypochlorous acid with electron localisation function (ELF)

S. Berski, M. Michalski, 2021, Molecular Physics.

Electron localization function study on intramolecular electron transfer in the QTTFQ and DBTTFI radical anions.

A. Gordon, S. Berski, J. Kalinowski, 2011, The journal of physical chemistry. A.

Quantum chemical topology study on the electronic structure of cis- and trans-FONO.

A. Gordon, Z. Latajka, S. Berski, 2010, The Journal of chemical physics.

Electronic fluxes during diels‐alder reactions involving 1,2‐benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory

Bernard Silvi, Patricio González-Navarrete, Slawomir Berski, 2012, J. Comput. Chem..

Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase

Z. Latajka, S. Berski, P. Durlak, 2011, Journal of molecular modeling.

The nature of the Au–Rg bond in the [AuRg 4 ] 2+ (Rg=Ar, Kr and Xe) molecules

J. Andrés, Z. Latajka, S. Berski, 2002 .

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, Z. Latajka, S. Berski, 2000 .

The Nature of Binding in HRgY Compounds (Rg = Ar, Kr, Xe; Y = F, Cl) Based on the Topological Analysis of the Electron Localisation Function (ELF)

B. Silvi, Z. Latajka, S. Berski, 2001 .

Characterisation of the reaction mechanism between ammonia and formaldehyde from the topological analysis of ELF and catastrophe theory perspective

A. Gordon, S. Berski, Agnieszka Ćmikiewicz, 2018, Structural Chemistry.

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

A. Gordon, S. Berski, L. Ciunik, 2015, Journal of Molecular Modeling.

Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols

Leonid A. Bulavin, Slawomir Berski, Henryk Ratajczak, 2002 .

On the nature of the boron–copper interaction. Topological study of the electron localisation function (ELF)

A. Gordon, S. Berski, Grzegorz Mierzwa, 2018 .

The nature of the T=T double bond (T = B, Al, Ga, In) in dialumene and its derivatives: topological study of the electron localization function (ELF)

A. Gordon, S. Berski, M. Michalski, 2019, Journal of Molecular Modeling.

The nature of inter- and intramolecular interactions in F2OXe…HX (X= F, Cl, Br, I) complexes

E. Makarewicz, A. Gordon, S. Berski, 2016, Journal of Molecular Modeling.

Oxygen bound iodine (O–I): The Electron Localization Function (ELF) study on bonding in cis- and trans-IONO

A. Gordon, Z. Latajka, S. Berski, 2011 .

Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2H + NH3) – The electron localization function study

Z. Latajka, S. Berski, 2006 .

Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.

L. Domingo, J. Andrés, B. Silvi, 2008, The journal of physical chemistry. A.

New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.

L. Domingo, J. Andrés, B. Silvi, 2006, The journal of physical chemistry. A.

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.

Bernard Silvi, Raquel Castillo, Juan Andres, 2004, Chemistry.

Exploring the Relationship between Reactivity and Electronic Structure in Isorhodanine Derivatives Using Computer Simulations

S. Berski, M. Michalski, 2023, Molecules.

Electron localization function (ELF) study on intramolecular delocalization of the electron density in the H2X, H2CX and XO2 (X = O, S, Se, Te) molecules: Role of the atomic core and lone pair

Z. Latajka, S. Berski, Grzegorz Gajewski, 2007 .

A Theoretical Study on the Gas Phase Reactions of the Anions NbO3-, NbO5-, and NbO2(OH)2- with H2O and O2

L. Gracia, A. Beltrán, J. Andrés, 2004 .

Toward Understanding the Electron Density Distribution in Magnetic Clusters: Insight from the ELF and AIM Analyses of Ground-State Fe4

G. Gutsev, J. Andrés, S. Berski, 2004 .

AIM and ELF analysis of the H-, Me-, and F-substituted FeIII–TAML complexes

K. Mierzwicki, Z. Latajka, S. Berski, 2011 .