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prof. dr hab. Piotr Skurski
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total: 130
Catalog Publications
Year 2022
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Finding Valence Antibonding Levels while Avoiding Rydberg, Pseudo-continuum, and Dipole-Bound Orbitals
Publication
Year 2021
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An Excess Electron Bound to Magnesium Halides and Basic Grignard Compounds (RMgX and RMgR, R = Me, Et, Ph; X = F, Cl, Br)
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Caralumane Superacids of Lewis and Brønsted Character
Publication
Year 2020
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Fate of Dipole-Bound Anion States when Hydrated
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Icosahedral Carborane Superacids and their Conjugate Bases Comprising H, F, Cl, and CN Substituents: A Theoretical Investigation of Monomeric and Dimeric Cages
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Unusual and Conventional Dative Bond Formation by s2 Lone Pair Donation from Alkaline Earth Metal Atoms to BH3, AlH3, and GaH3
Publication
Year 2019
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A metastable [(MgF3)2]2− dianion composed of two superhalogen anions
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Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV
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PF5 and PCl5 interacting with water – Comparative study at the molecular level
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The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands
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The Acid Strength of the Lewis‐Brønsted Superacids – A QSPR Study
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The correlation-bound anion of p-chloroaniline
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The mechanism of tert-butylthiol formation via hydrosulfurization of isobutene catalyzed by superacids (HBF4, HAsF6, and HSbF6)
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The mechanisms of isobutene hydration yielding tert-butanol catalyzed by a strong mineral acid (H2SO4) and Lewis-Brønsted superacid (HF/SbF5)
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The presence of two different central atoms increases the strength of Lewis-Brønsted superacids
Publication
Year 2018
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Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions
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Dissociative electron attachment to HGaF4 Lewis–Brønsted superacid
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Formation of Enormously Strongly Bound Anionic Clusters Predicted in Binary Superacids
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Mechanism of the ethanol-based (C2H5OH2)+(SbF6)− salt formation by the superacid-catalyzed acetaldehyde hydrogenation
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Stability of the TinF4n+1− and GenF4n+1− superhalogen anions and the acidity of the HTi F4+1 and HGe F4+1 (n = 1–3) superacids
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The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
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The acid strength of the HClO4/n(AlF3) and HClO4/n(SbF5) (n = 1–3) Lewis–Brønsted superacids containing the excess of the Lewis acid component
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Toward the preparation of the HAuF6 , HAu2 F11 , and HAu3 F16 superacids: Theoretical study
Publication
Year 2017
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Mechanisms of carbon monoxide hydrogenation yielding formaldehyde catalyzed by the representative strong mineral acid, H2SO4, and Lewis–Brønsted superacid, HF/AlF3
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Oxidizing CO2 with superhalogens
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Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water
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Selected boron, aluminum, and gallium trihalide and trihydride anions
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The formation of formaldehyde via the carbon monoxide hydrogenation catalyzed by the HSbF6 superacid
Publication
Year 2016
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Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
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Does the protonation of superhalogen anions always lead to superacids?
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Gas-phase quasi-degeneracy of zwitterionic and canonical tautomers of glycine and proline induced by the presence of the MAlF4(M = Li, Na, K) salts
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Stability of Superhalogen Anions in the Aqueous Phase
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Temperature Dependence of the Dissociative Electron Attachment to 2-Thiothymine
Publication
Year 2015
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Ionizing benzene with superhalogens
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublicationSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Strength of the Lewis–Brønsted Superacids Containing In, Sn, and Sb and the Electron Binding Energies of Their Corresponding Superhalogen Anions
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The existence and gas phase acidity of the HAlnF3n+1 superacids (n=1–4)
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The HAlF4 superacid fragmentation induced by an excess electron attachment
Publication
Year 2014
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AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions
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Dissociative electron attachment to gas phase thiothymine: experimental and theoretical approaches
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Double amino acid – A novel molecule enabling peptide interpenetrating structures
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High-symmetry compact structures are preferred equilibrium configurations of Li n F n+1 − ( n = 2–5) superhalogen anions
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Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
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Refinements to the Utah–Washington Mechanism of Electron Capture Dissociation
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The PF6−n(R)n−anions (R = CH3, C2H5;n= 0–6): the dependence of the electronic stability on the number of non-electronegative alkyl ligands
Publication
Year 2013
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Ab initio studies of the structure, physicochemical properties and behavior of lead chlorides and chloroplumbate anions in gaseous and aqueous phases
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Mechanism for Repair of Thymine Dimers by Photoexcitation of Proximal 8-Oxo-7,8-dihydroguanine
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Superhalogen oxidizers capable of ionizing water molecules
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The existence and stability of the anions matching the formula (M=Li, Na, K, Be, Mg, Ca, B, Al, Ga)
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
Publication
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