Falkowski, D., Mikołajczyk, A., Skurski, P., Brzeski, J. & Puzyn, T. Machine learning-driven SSbD strategy for discovering next-generation anodes in solid oxide electrolysis cells. International Journal of Hydrogen Energy 228, 154543 (2026).
Mekhael, D., Skurski, P. & Anusiewicz, I. Polynuclear Superhalogen Anions with Heterovalent Central Atoms. Molecules 31, 933 (2026).
Skurski, P. & Anusiewicz, I. Carbonless amino acids and a carbonless GHK peptide. Physical Chemistry Chemical Physics 28, 8675-8691 (2026).
Skurski, P. & Brzeski, J. From Fragile to Firm: Reinforcement of Excess Electron Binding in Dipole-Bound Anions through Sigma-Hole and Hydrogen-Bond Interactions. The Journal of Physical Chemistry A 129, 8395-8406 (2025).
Falkowski, D., Brzeski, J., Mikołajczyk, A. & Skurski, P. Reversed Stability of Zirconium Oxide Dimer Isomers Triggered by Electron Gain or Removal. Inorganic Chemistry 64, 7224-7238 (2025).
Falkowski, D., Mikołajczyk, A. & Skurski, P. Harnessing the (CH3)2ZnCl– Anion for Dimethylzinc Stabilization as a Pathway to Stable Dimethylzinc Salts and Dimethylzinc Recovery. The Journal of Physical Chemistry A 129, 3032-3039 (2025).
Skurski, P. & Brzeski, J. Carbonless DNA. Physical Chemistry Chemical Physics 27, 2343-2362 (2025).
Wyrzykowska, E., Balicki, M., Anusiewicz, I., Rouse, I., Lobaskin, V., Skurski, P. & Puzyn, T. Predicting biomolecule adsorption on nanomaterials: a hybrid framework of molecular simulations and machine learning. Nanoscale 17, 11004-11015 (2025).
Anusiewicz, I., Freza, S. & Skurski, P. s 2 lone pair-driven formation of a 3-center 4-electron (3c-4e) Mg–B–Mg dative bond in neutral Mg(BH 3 )Mg. Physical Chemistry Chemical Physics 27, 16306-16310 (2025).
Freza, S., Cyraniak, A., Wiszowska, N. & Skurski, P. Excess electron binding energy approaching 15 eV in polynuclear antimony fluoride anions: From small structures to nanoparticle-sized systems. Chemical Physics Letters 861, 141828 (2024).
Wiszowska, N., Falkowski, D., Anusiewicz, I. & Skurski, P. Strongly bound anions featuring bismuth fluoride building blocks. Polyhedron 264, 117214 (2024).
Cyraniak, A., Anusiewicz, I., Freza, S. & Skurski, P. An ab initio study on the possibility of utilizing cationic and anionic cyanovinyl compounds as synthons. Chemical Physics 583, 112320 (2024).
Skurski, P. & Simons, J. Two potential paths for OH radical formation on surfaces of pure water microdroplets. The Journal of Chemical Physics 160 (2024).
Anusiewicz, I. & Skurski, P. Strongly Bound Polynuclear Anions Comprising Scandium Fluoride Building Blocks. Inorganic Chemistry 62, 17022-17029 (2023).
Cyraniak, A., Freza, S. & Skurski, P. Quasidegeneracy of (H2C = B = CH2)– borata-alkene synthon and (H3B–C≡CH)– boryl-substituted acetylene anion induced by an excess electron attachment. Chemical Physics Letters 822, 140492 (2023).
Cyraniak, A., Freza, S. & Skurski, P. An ab initio study on the stability of isolated phosphaalkene synthons. Physical Chemistry Chemical Physics 25, 27196-27203 (2023).
Czapla, M. & Skurski, P. Degradation of selected perfluoroalkyl substances (PFASs) using AlF 3 in water. Physical Chemistry Chemical Physics 25, 18095-18101 (2023).
Mikołajczyk, A., Zhdan, U., Antoniotti, S., Smoliński, A., Jagiełło, K., Skurski, P., Harb, M., Puzyn, T. & Polański, J. Retrosynthesis from transforms to predictive sustainable chemistry and nanotechnology: a brief tutorial review. Green Chemistry 25, 2971-2991 (2023).
Anusiewicz, I., Skurski, P. & Simons, J. Finding Valence Antibonding Levels while Avoiding Rydberg, Pseudo-continuum, and Dipole-Bound Orbitals. Journal of the American Chemical Society 144, 11348-11363 (2022).
Cyraniak, A., Freza, S. & Skurski, P. An ab initio study on the stability of isolated borata-alkene synthons. Chemical Physics 559, 111543 (2022).
Cyraniak, A., Faron, D., Freza, S., Anusiewicz, I. & Skurski, P. Superhalogen Anions Supported by the Systems Comprising Alternately Aligned Boron and Nitrogen Central Atoms. Frontiers in Chemistry 10, 863408 (2022).
Śliwka‐Kaszyńska, M., Anusiewicz, I. & Skurski, P. The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results. Molecules 27, 1032 (2022).
Łukasik, N., Hemine, K., Anusiewicz, I., Skurski, P. & Paluszkiewicz, E. Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid–Experimental and Theoretical Studies. Materials 14, 3995 (2021).
Faron, D., Skurski, P. & Anusiewicz, I. Tracing the acid-base catalytic properties of MON2O mixed oxides (M = Be, Mg, Ca; N = Li, Na, K) by theoretical calculations. Journal of Molecular Modeling 27, 210 (2021).
Brzeski, J., Freza, S., Czapla, M. & Skurski, P. An Excess Electron Bound to Magnesium Halides and Basic Grignard Compounds (RMgX and RMgR, R = Me, Et, Ph; X = F, Cl, Br). The Journal of Physical Chemistry A 125, 2334-2343 (2021).
Anusiewicz, I., Freza, S., Bobrowski, M. & Skurski, P. Electron attachment to representative cations composing ionic liquids. The Journal of Chemical Physics 154, 104302 (2021).
Pokluda, A., Anwar, Z., Boguschová, V., Anusiewicz, I., Skurski, P., Sikorski, M. & Cibulka, R. Robust Photocatalytic Method Using Ethylene‐Bridged Flavinium Salts for the Aerobic Oxidation of Unactivated Benzylic Substrates. Advanced Synthesis & Catalysis 363, 4371-4379 (2021).
Brzeski, J., Czapla, M. & Skurski, P. Modified IR νNH scale for computational applications. Chemical Physics Letters 770, 138445 (2021).
Brzeski, J., Skurski, P. & Simons, J. Caralumane Superacids of Lewis and Brønsted Character. The Journal of Physical Chemistry A 125, 999-1011 (2021).
Anusiewicz, I., Faron, D., Skurski, P. & Simons, J. Unusual and Conventional Dative Bond Formation by s2 Lone Pair Donation from Alkaline Earth Metal Atoms to BH3, AlH3, and GaH3. The Journal of Physical Chemistry A 124, 5369-5377 (2020).
Anusiewicz, I., Skurski, P. & Simons, J. Fate of Dipole-Bound Anion States when Hydrated. The Journal of Physical Chemistry A 124, 2064-2076 (2020).
Brzeski, J., Czapla, M. & Skurski, P. Icosahedral Carborane Superacids and their Conjugate Bases Comprising H, F, Cl, and CN Substituents: A Theoretical Investigation of Monomeric and Dimeric Cages. ChemPlusChem 85, 312-318 (2020).
Faron, D., Skurski, P. & Anusiewicz, I. PF5 and PCl5 interacting with water – Comparative study at the molecular level. Polyhedron 171, 285-298 (2019).
Brzeski, J., Czapla, M. & Skurski, P. The mechanism of tert-butylthiol formation via hydrosulfurization of isobutene catalyzed by superacids (HBF4, HAsF6, and HSbF6). Chemical Physics Letters 732, 136641 (2019).
Brzeski, J. & Skurski, P. The mechanisms of isobutene hydration yielding tert-butanol catalyzed by a strong mineral acid (H2SO4) and Lewis-Brønsted superacid (HF/SbF5). Heliyon 5, e02133 (2019).
Ciborowski, S. M., Harris, R. M., Liu, G., Martinez‐Martinez, C., Skurski, P. & Bowen, K. H. The correlation-bound anion of p-chloroaniline. The Journal of Chemical Physics 150, 161103 (2019).
Freza, S., Anusiewicz, I., Simons, J. & Skurski, P. A metastable [(MgF3)2]2− dianion composed of two superhalogen anions. Journal of Fluorine Chemistry 220, 41-47 (2019).
Sosnowska, A., Brzeski, J., Skurski, P. & Puzyn, T. The Acid Strength of the Lewis‐Brønsted Superacids – A QSPR Study. Molecular Informatics 38, e1800113 (2019).
Faron, D., Skurski, P. & Anusiewicz, I. Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV. Journal of Molecular Modeling 25, 24 (2019).
Cyraniak, A., Skurski, P. & Czapla, M. The presence of two different central atoms increases the strength of Lewis-Brønsted superacids. Chemical Physics Letters 717, 77-81 (2019).
Brzeski, J. & Skurski, P. The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands. Chemical Physics Letters 716, 106-111 (2018).
Czapla, M., Ciepła, O., Brzeski, J. & Skurski, P. Formation of Enormously Strongly Bound Anionic Clusters Predicted in Binary Superacids. The Journal of Physical Chemistry A 122, 8539-8548 (2018).
Rybacka, O. & Skurski, P. Mechanism of the ethanol-based (C2H5OH2)+(SbF6)− salt formation by the superacid-catalyzed acetaldehyde hydrogenation. Theoretical Chemistry Accounts 137 (2018).
Rybacka, O., Brzeski, J., Anusiewicz, I. & Skurski, P. The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors. Chemical Physics Letters 706, 488-493 (2018).
Anusiewicz, I. & Skurski, P. Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions. Chemical Physics Letters 698, 19-23 (2018).
Brzeski, J., Anusiewicz, I. & Skurski, P. 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. Theoretical Chemistry Accounts 137 (2018).
Czapla, M., Simons, J. & Skurski, P. Dissociative electron attachment to HGaF 4 Lewis–Brønsted superacid. Physical Chemistry Chemical Physics 20, 21739-21745 (2018).
Anusiewicz, I., Freza, S. & Skurski, P. 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. Polyhedron 144, 125-130 (2018).
Rybacka, O., Czapla, M. & Skurski, P. The formation of formaldehyde via the carbon monoxide hydrogenation catalyzed by the HSbF6 superacid. Theoretical Chemistry Accounts 136 (2017).
Barczynski, P., Skurski, P., Karbowiak, M. & Barczynska, A. SCIFUN – LET’S ADD SOME FUN TO THE SCIENCE EDUCATION. (2017).
Czapla, M. & Skurski, P. Toward the preparation of the HAuF6, HAu2F11, and HAu3F16 superacids: Theoretical study. International Journal of Quantum Chemistry 118 (2017).
Wileńska, D., Skurski, P. & Anusiewicz, I. Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water. The Journal of Physical Chemistry A 121, 4372-4378 (2017).
Rybacka, O., Czapla, M. & Skurski, P. Mechanisms of carbon monoxide hydrogenation yielding formaldehyde catalyzed by the representative strong mineral acid, H 2 SO 4 , and Lewis–Brønsted superacid, HF/AlF 3. Physical Chemistry Chemical Physics 19, 18047-18054 (2017).
Czapla, M. & Skurski, P. Oxidizing CO 2 with superhalogens. Physical Chemistry Chemical Physics 19, 5435-5440 (2017).
Anusiewicz, I., Freza, S. & Skurski, P. Stability of Superhalogen Anions in the Aqueous Phase. Inorganic Chemistry 55, 10161-10169 (2016).
Kopyra, J., Abdoul‐Carime, H. & Skurski, P. Temperature Dependence of the Dissociative Electron Attachment to 2-Thiothymine. The Journal of Physical Chemistry A 120, 7130-7136 (2016).
Barycki, M., Sosnowska, A., Gajewicz, A., Bobrowski, M., Wileńska, D., Skurski, P., Giełdoń, A., Czaplewski, C. R., Uhl, S., Laux, E., Journot, T., Jeandupeux, L., Keppner, H. & Puzyn, T. Temperature-dependent structure-property modeling of viscosity for ionic liquids. Fluid Phase Equilibria 427, 9-17 (2016).
Brzeski, J., Czapla, M., Skurski, P. & Simons, J. Selected boron, aluminum, and gallium trihalide and trihydride anions. Chemical Physics 482, 387-392 (2016).
Nowiak, G., Skurski, P. & Anusiewicz, I. 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. Journal of Molecular Modeling 22, 87 (2016).
Sosnowska, A., Barycki, M., Gajewicz, A., Bobrowski, M., Freza, S., Skurski, P., Uhl, S., Laux, E., Journot, T., Jeandupeux, L., Keppner, H. & Puzyn, T. Towards the Application of Structure–Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems. ChemPhysChem 17, 1591-1600 (2016).
Wileńska, D., Skurski, P. & Anusiewicz, I. 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. Molecular Physics 114, 1494-1501 (2016).
Czapla, M., Anusiewicz, I. & Skurski, P. The saturation of the gas phase acidity of nHF/AlF 3 and nHF/GeF 4 (n = 1–6) superacids caused by increasing the number of surrounding HF molecules. RSC Advances 6, 29314-29325 (2016).
Czapla, M., Anusiewicz, I. & Skurski, P. Does the protonation of superhalogen anions always lead to superacids?. Chemical Physics 465-466, 46-51 (2015).
Czapla, M. & Skurski, P. Strength of the Lewis–Brønsted Superacids Containing In, Sn, and Sb and the Electron Binding Energies of Their Corresponding Superhalogen Anions. The Journal of Physical Chemistry A 119, 12868-12875 (2015).
Czapla, M. & Skurski, P. The existence and gas phase acidity of the HAl F3+1 superacids (n= 1–4). Chemical Physics Letters 630, 1-5 (2015).
Czapla, M. & Skurski, P. The HAlF 4 superacid fragmentation induced by an excess electron attachment. Physical Chemistry Chemical Physics 17, 19194-19201 (2015).
Czapla, M., Freza, S. & Skurski, P. Ionizing benzene with superhalogens. Chemical Physics Letters 619, 32-35 (2014).
Wileńska, D., Anusiewicz, I., Freza, S., Bobrowski, M., Laux, E., Uhl, S., Keppner, H. & Skurski, P. Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes. Molecular Physics 113, 630-639 (2014).
Wileńska, D., Skurski, P. & Anusiewicz, I. High-symmetry compact structures are preferred equilibrium configurations of Li n F n+1 − ( n = 2–5) superhalogen anions. Journal of Fluorine Chemistry 168, 99-104 (2014).
Marchaj, M., Freza, S. & Skurski, P. AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions. Chemical Physics Letters 612, 172-176 (2014).
Sieradzan, I., Skurski, P. & Anusiewicz, I. 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. Molecular Physics 112, 2811-2819 (2014).
Freza, S., Marchaj, M. & Skurski, P. Double amino acid – A novel molecule enabling peptide interpenetrating structures. Chemical Physics Letters 599, 34-37 (2014).
Anusiewicz, I., Skurski, P. & Simons, J. Refinements to the Utah–Washington Mechanism of Electron Capture Dissociation. The Journal of Physical Chemistry B 118, 7892-7901 (2014).
Kopyra, J., Freza, S., Abdoul‐Carime, H., Marchaj, M. & Skurski, P. Dissociative electron attachment to gas phase thiothymine: experimental and theoretical approaches. Physical Chemistry Chemical Physics 16, 5342-5348 (2014).
Sieradzan, I., Marchaj, M., Anusiewicz, I., Skurski, P. & Simons, J. Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion. The Journal of Physical Chemistry A 118, 7194-7200 (2014).
Marchaj, M., Freza, S., Rybacka, O. & Skurski, P. Superhalogen oxidizers capable of ionizing water molecules. Chemical Physics Letters 574, 13-17 (2013).
Marchaj, M., Sieradzan, I., Anusiewicz, I., Skurski, P. & Simons, J. 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. Molecular Physics 111, 1580-1588 (2013).
Marchaj, M., Freza, S. & Skurski, P. The existence and stability of the anions matching the MFk+2- formula (M = Li, Na, K, Be, Mg, Ca, B, Al, Ga). Chemical Physics Letters 560, 15-21 (2013).
Freza, S., Kabir, M., Anusiewicz, I., Skurski, P. & Błażejowski, J. Ab initio studies of the structure, physicochemical properties and behavior of lead chlorides and chloroplumbate anions in gaseous and aqueous phases. Computational and Theoretical Chemistry 1004, 61-68 (2012).
Bobrowski, M., Freza, S. & Skurski, P. Functional Thin Films Resulting from Parylene–Vinyl Copolymerization. Macromolecules 45, 8532-8546 (2012).
Anusiewicz, I., Świerszcz, I., Skurski, P. & Simons, J. Mechanism for Repair of Thymine Dimers by Photoexcitation of Proximal 8-Oxo-7,8-dihydroguanine. The Journal of Physical Chemistry A 117, 1240-1253 (2012).
Świerszcz, I. & Skurski, P. Stable anions formed by organic molecules substituted with superhalogen functional groups. Chemical Physics Letters 537, 27-32 (2012).
Sikorska, C. & Skurski, P. The saturation of the excess electron binding energy in AlnF3n+1- (n= 1–5) anions. Chemical Physics Letters 536, 34-38 (2012).
Sikorska, C. & Skurski, P. Towards an understanding of the nature of superhalogen anions: anab initiostudy of the system. Molecular Physics 110, 1447-1452 (2012).
Marchaj, M., Freza, S. & Skurski, P. Why Are SiX5– and GeX5– (X = F, Cl) Stable but Not CF5– and CCl5–?. The Journal of Physical Chemistry A 116, 1966-1973 (2012).
Świerszcz, I., Skurski, P. & Simons, J. Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy. The Journal of Physical Chemistry A 116, 1828-1837 (2012).
Sikorska, C. & Skurski, P. Moderately Reactive Molecules Forming Stable Ionic Compounds with Superhalogens. Inorganic Chemistry 50, 6384-6391 (2011).
Naddaka, M., Asen, F., Freza, S., Bobrowski, M., Skurski, P., Laux, E., Charmet, J., Keppner, H., Bauer, M. & Lellouche, J. Functionalization of parylene during its chemical vapor deposition. Journal of Polymer Science Part A Polymer Chemistry 49, 2952-2958 (2011).
Bobrowski, M., Skurski, P. & Freza, S. The electronic structure of p-xylylene and its reactivity with vinyl molecules. Chemical Physics 382, 20-26 (2011).
Sikorska, C., IGNATOWSKA, D., Freza, S. & Skurski, P. THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS. Journal of Theoretical and Computational Chemistry 10, 93-109 (2011).
Sikorska, C., Freza, S., Skurski, P. & Anusiewicz, I. Theoretical Search for Alternative Nine-Electron Ligands Suitable for Superhalogen Anions. The Journal of Physical Chemistry A 115, 2077-2085 (2011).
Sikorska, C. & Skurski, P. The IP vs. VDE competition as a key factor determining the stability of the MgBX5 (X = F, Cl) compounds. Chemical Physics Letters 500, 211-216 (2010).
Anusiewicz, I., Freza, S., Sikorska, C. & Skurski, P. A strongly bound OF 3 – anion and its unstable parent neutral OF3 species. Chemical Physics Letters 493, 234-237 (2010).
Freza, S. & Skurski, P. Enormously large (approaching 14 eV!) electron binding energies of [ H n F n + 1 ] – (n= 1–5, 7, 9, 12) anions. Chemical Physics Letters 487, 19-23 (2010).
Freza, S., Skurski, P. & Bobrowski, M. Influence of substituents in vinyl groups on reactivity of parylene during polymerization process. Chemical Physics 368, 126-132 (2010).
Sikorska, C., Freza, S. & Skurski, P. The Reason Why HAlCl 4 Acid Does Not Exist. The Journal of Physical Chemistry A 114, 2235-2239 (2010).
Smuczyńska, S. & Skurski, P. Halogenoids as Ligands in Superhalogen Anions. Inorganic Chemistry 48, 10231-10238 (2009).
Sikorska, C. & Skurski, P. Cationic and anionic daughters of AlOH and GaOH. An ab initio study. Chemical Physics Letters 477, 259-265 (2009).
Smuczyńska, S., Gwarda, I., Anusiewicz, I. & Skurski, P. Is the p-chloroaniline anion bound almost entirely by correlation?. The Journal of Chemical Physics 130, 124316 (2009).
Sikorska, C., Smuczyńska, S., Skurski, P. & Anusiewicz, I. ChemInform Abstract: BX4‐ and AlX4‐ Superhalogen Anions (X: F, Cl, Br): An ab initio Study. ChemInform 39 (2008).
Sikorska, C., Smuczyńska, S., Skurski, P. & Anusiewicz, I. BX4− and AlX4− Superhalogen Anions (X = F, Cl, Br): An ab Initio Study. Inorganic Chemistry 47, 7348-7354 (2008).
Smuczyńska, S. & Skurski, P. Introducing various ligands into superhalogen anions reduces their electronic stabilities. Chemical Physics Letters 452, 44-48 (2007).
Smuczyńska, S. & Skurski, P. Is hydrogen capable of playing a central atom role in superhalogen anions?. Chemical Physics Letters 443, 190-193 (2007).
Anusiewicz, I. & Skurski, P. Unusual structures of Mg2F5- superhalogen anion. Chemical Physics Letters 440, 41-44 (2007).
Skurski, P., Sobczyk, M. A., Jakowski, J. & Simons, J. Possible mechanisms for protecting NCα bonds in helical peptides from electron-capture (or transfer) dissociation. International Journal of Mass Spectrometry 265, 197-212 (2007).
Kalcher, J., Skurski, P. & Simons, J. Electron Binding Capabilities of Some Silylenes Having Small Singlet−Triplet Splittings or Triplet Ground States. The Journal of Physical Chemistry A 111, 401-410 (2006).
Sawicka, M., Storoniak, P., Skurski, P., Błażejowski, J. & Rak, J. TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides. Chemical Physics 324, 425-437 (2005).
Anusiewicz, I., Jasionowski, M., Skurski, P. & Simons, J. Backbone and Side-Chain Cleavages in Electron Detachment Dissociation (EDD). The Journal of Physical Chemistry A 109, 11332-11337 (2005).
Berdys‐Kochańska, J., Kruszewski, J. & Skurski, P. Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers. The Journal of Physical Chemistry A 109, 11407-11412 (2005).
Anusiewicz, I., Berdys‐Kochańska, J., Skurski, P. & Simons, J. Simulating Electron Transfer Attachment to a Positively Charged Model Peptide. The Journal of Physical Chemistry A 110, 1261-1266 (2005).
Sawicka, A., Skurski, P. & Simons, J. Inverse Potassium Hydride: A Theoretical Study. The Journal of Physical Chemistry A 109, 922-927 (2005).
Sawicka, A., Berdys‐Kochańska, J., Skurski, P. & Simons, J. Low‐energy (0.1 eV) electron attachment SS bond cleavage assisted by Coulomb stabilization. International Journal of Quantum Chemistry 102, 838-846 (2005).
Anusiewicz, I., Sobczyk, M. A., Berdys‐Kochańska, J., Skurski, P. & Simons, J. A Theoretical Model for Indirect Dissociative Electron Attachment. The Journal of Physical Chemistry A 109, 484-492 (2004).
Anusiewicz, I., Berdys‐Kochańska, J., Czaplewski, C. R., Sobczyk, M. A., Daranowski, E. M., Skurski, P. & Simons, J. Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides. The Journal of Physical Chemistry A 109, 240-249 (2004).
Sobczyk, M. A., Anusiewicz, I., Berdys‐Kochańska, J., Sawicka, A., Skurski, P. & Simons, J. Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide. The Journal of Physical Chemistry A 109, 250-258 (2004).
Anusiewicz, I., Berdys, J., Sobczyk, M. A., Skurski, P. & Simons, J. Effects of Base π-Stacking on Damage to DNA by Low-Energy Electrons. The Journal of Physical Chemistry A 108, 11381-11387 (2004).
Berdys, J., Anusiewicz, I., Skurski, P. & Simons, J. Damage to Model DNA Fragments from Very Low-Energy (. Journal of the American Chemical Society 126, 6441-6447 (2004).
Berdys, J., Skurski, P. & Simons, J. Damage to Model DNA Fragments by 0.25−1.0 eV Electrons Attached to a Thymine π* Orbital. The Journal of Physical Chemistry B 108, 5800-5805 (2004).
Sawicka, A., Skurski, P. & Simons, J. Excess Electron Attachment to Disulfide-Bridged l , l -Cystine. An ab Initio Study. The Journal of Physical Chemistry A 108, 4261-4268 (2004).
Sawicka, A., Skurski, P., Hudgins, R. R. & Simons, J. Model Calculations Relevant to Disulfide Bond Cleavage via Electron Capture Influenced by Positively Charged Groups. The Journal of Physical Chemistry B 107, 13505-13511 (2003).
Berdys, J., Anusiewicz, I., Skurski, P. & Simons, J. Theoretical Study of Damage to DNA by 0.2−1.5 eV Electrons Attached to Cytosine. The Journal of Physical Chemistry A 108, 2999-3005 (2003).
Sobczyk, M. A., Sawicka, A. & Skurski, P. Theoretical Search for Anions Possessing Large Electron Binding Energies. European Journal of Inorganic Chemistry 2003, 3790-3797 (2003).
Ervin, K. M., Anusiewicz, I., Skurski, P., Simons, J. & Lineberger, W. C. The Only Stable State of O2-Is the X2ΠgGround State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV. The Journal of Physical Chemistry A 107, 8521-8529 (2003).
Reshetnyak, O. V., Koval’chuk, E. P., Skurski, P., Rak, J. & Błażejowski, J. The origin of luminescence accompanying electrochemical reduction or chemical decomposition of peroxydisulfates. Journal of Luminescence 105, 27-34 (2003).
Anusiewicz, I., Sobczyk, M. A., Dąbkowska, I. & Skurski, P. An ab initio study on MgX3− and CaX3− superhalogen anions (X=F, Cl, Br). Chemical Physics 291, 171-180 (2003).
Anusiewicz, I., Berdys, J., Simons, J. & Skurski, P. Electron detachment energies in high-symmetry alkali halide solvated-electron anions. The Journal of Chemical Physics 119, 902-908 (2003).
Sobczyk, M. A., Anusiewicz, I., Skurski, P. & Simons, J. Are HBO−and BOH−electronically stable?. Molecular Physics 101, 1259-1265 (2003).
Sobczyk, M. A., Skurski, P. & Simons, J. Bound-Excited Electronic States of the Anion of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane. The Journal of Physical Chemistry A 107, 7084-7091 (2003).
Sobczyk, M. A., Anusiewicz, I. & Skurski, P. Shape resonance of H2− anion stabilized in a molecular trap. The Journal of Chemical Physics 118, 7297-7302 (2003).
Sawicka, A., Skurski, P. & Simons, J. Inverse Sodium Hydride: A Theoretical Study. Journal of the American Chemical Society 125, 3954-3958 (2003).
Anusiewicz, I. & Skurski, P. Negative Ion Formation in Sodium Chloride TrimerAn ab Initio Study. The Journal of Physical Chemistry A 107, 2356-2361 (2003).
Anusiewicz, I. & Skurski, P. Shape resonance of the ethylene anion stabilized in a molecular trap. Chemical Physics Letters 370, 345-352 (2003).
Sawicka, A., Anusiewicz, I., Skurski, P. & Simons, J. Dipole‐bound anions supported by charge–transfer interaction: Anionic states of HnF3−nN → BH3 and H3N → BHnF3−n (n = 0, 1, 2, 3). International Journal of Quantum Chemistry 92, 367-375 (2003).
Anusiewicz, I., Skurski, P. & Simons, J. First Evidence of Rhombic (NaCl)2‐. Ab initio Reexamination of the Sodium Chloride Dimer Anion.. ChemInform 34 (2003).
Sesto, R. E. D., Arif, A. M., Novoa, J. J., Anusiewicz, I., Skurski, P., Simons, J., Dunn, B. C., Eyring, E. M. & Miller, J. S. Chemical Reduction of 2,4,6-Tricyano-1,3,5-triazine and 1,3,5-Tricyanobenzene. Formation of Novel 4,4‘,6,6‘-Tetracyano-2,2‘-bitriazine and Its Radical Anion. The Journal of Organic Chemistry 68, 3367-3379 (2002).
Anusiewicz, I., Skurski, P. & Simons, J. First Evidence of Rhombic (NaCl)2-. Ab Initio Reexamination of the Sodium Chloride Dimer Anion. The Journal of Physical Chemistry A 106, 10636-10644 (2002).
Sawicka, A. & Skurski, P. Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3. Chemical Physics 282, 327-336 (2002).
Sawicka, A., Skurski, P. & Simons, J. An excess electron binding to the `purple’ zwitterion quinonoid. Chemical Physics Letters 362, 527-533 (2002).
Anusiewicz, I. & Skurski, P. An ab initio study on BeX3− superhalogen anions (X = F, Cl, Br). Chemical Physics Letters 358, 426-434 (2002).
Skurski, P., Dąbkowska, I., Sawicka, A. & Rak, J. Dipole-bound and dispersion-bound anions supported by the asymmetric tautomers of aminophosphine: H3NPH and HNPH3. Chemical Physics 279, 101-110 (2002).
Barrios, R., Skurski, P. & Simons, J. Mechanism for Damage to DNA by Low-Energy Electrons. The Journal of Physical Chemistry B 106, 7991-7994 (2002).
Skurski, P. & Simons, J. An excess electron bound to urea. III. The urea dimer as an electron trap. The Journal of Chemical Physics 116, 6118-6125 (2002).
Sobczyk, M. A., Anusiewicz, I., Skurski, P. & Simons, J. Are HBO and BOH electronically stable?. (2002).
Skurski, P. & Simons, J. An excess electron bound to urea oligomers. II. Chains and ribbons. The Journal of Chemical Physics 115, 10731-10737 (2001).
Skurski, P., Rak, J. & Simons, J. Is 9-acridinamine anion a dispersion-bound anion?. The Journal of Chemical Physics 115, 11193-11199 (2001).
Skurski, P. & Simons, J. An excess electron bound to urea. I. Canonical and zwitterionic tautomers. The Journal of Chemical Physics 115, 8373-8380 (2001).
Rak, J., Skurski, P., Simons, J. & Gutowski, M. Low-Energy Tautomers and Conformers of Neutral and Protonated Arginine. Journal of the American Chemical Society 123, 11695-11707 (2001).
Smiataczowa, K., Maj, K. & Skurski, P. Mechanism of the Hydrogen Chloride/Methanol-Catalyzed Mutarotation Reaction of N-(p-Chlorophenyl)-β-D-glucopyranosylamine. European Journal of Organic Chemistry 2001, 4269 (2001).
https://doi.org/10.1002/1099-0690(200111)2001:22<4269::aid-ejoc4269>3.0.co;2-g
Skurski, P., Rak, J., Simons, J. & Gutowski, M. Quasidegeneracy of Zwitterionic and Canonical Tautomers of Arginine Solvated by an Excess Electron. Journal of the American Chemical Society 123, 11073-11074 (2001).
Rak, J., Skurski, P. & Gutowski, M. An ab initio study of the betaine anion–dipole-bound anionic state of a model zwitterion system. The Journal of Chemical Physics 114, 10673-10681 (2001).
Skurski, P., Gutowski, M. & Simons, J. Ab initio electronic structure of HCN− and HNC− dipole-bound anions and a description of electron loss upon tautomerization. The Journal of Chemical Physics 114, 7443-7449 (2001).
Skurski, P., Gutowski, M., Barrios, R. & Simons, J. Non-ionic and zwitterionic forms of neutral arginine – an ab initio study. Chemical Physics Letters 337, 143-150 (2001).
Falandysz, J., Puzyn, T., Szymanowska, B., Kawano, M., Markuszewski, M. J., Kaliszan, R., Skurski, P., Błażejowski, J. & Wakimoto, T. Thermodynamic and physico-chemical descriptors of chloronaphthalenes: an attempt to select features explaining environmental behaviour and specific toxic effects of these compounds. Polish Journal of Environmental Studies 10 (2001).
Barrios, R., Skurski, P., Rak, J. & Gutowski, M. An ab initio study of (H3B←NH3)−–a dipole-bound anion supported by the dative charge-transfer bond in the neutral host. The Journal of Chemical Physics 113, 8961-8968 (2000).
Simons, J., Skurski, P. & Barrios, R. Repulsive Coulomb Barriers in Compact Stable and Metastable Multiply Charged Anions. Journal of the American Chemical Society 122, 11893-11899 (2000).
Gutowski, M., Skurski, P., Li, X. & Wang, L. (MgO)n−(n=1–5) Clusters: Multipole-Bound Anions and Photodetachment Spectroscopy. Physical Review Letters 85, 3145-3148 (2000).
Barrios, R., Skurski, P. & Simons, J. Characterization of the Rydberg Bonding in (NH4)2-. The Journal of Physical Chemistry A 104, 10855-10858 (2000).
Skurski, P. & Gutowski, M. Excited electronic states of the anion of 7,7,8,8-tetracyanoquinodimethane (TCNQ). Journal of Molecular Structure THEOCHEM 531, 339-348 (2000).
Gutowski, M., Skurski, P. & Simons, J. Dipole-Bound Anions of Glycine Based on the Zwitterion and Neutral Structures. Journal of the American Chemical Society 122, 10159-10162 (2000).
Gutowski, M., Skurski, P. & Simons, J. Bi-dipole-bound anions. International Journal of Mass Spectrometry 201, 245-252 (2000).
Skurski, P., Gutowski, M. & Simons, J. A bi-dipole-bound dianion. Chemical Physics Letters 322, 175-180 (2000).
Skurski, P. & Simons, J. A dipole-bound dianion. The Journal of Chemical Physics 112, 6563-6570 (2000).
Skurski, P., Simons, J., Wang, X. & Wang, L. Experimental and Theoretical Investigations of the Stability of Two Small Gaseous Dicarboxylate Dianions: Acetylene Dicarboxylate and Succinate. Journal of the American Chemical Society 122, 4499-4507 (2000).
Storoniak, P., Rak, J., Skurski, P., Krzymiński, K. & Błażejowski, J. Theoretical and Experimental Investigations of The Decomposition of 10-methylacridinium Halides. Journal of Thermal Analysis and Calorimetry 60, 35-43 (2000).
Skurski, P. & Simons, J. An Unstable Anion Stabilized in a Molecular Trap. The Journal of Physical Chemistry A 104, 712-717 (2000).
Skurski, P., Gutowski, M. & Simons, J. How to choose a one-electron basis set to reliably describe a dipole-bound anion. International Journal of Quantum Chemistry 80, 1024-1038 (2000).
https://doi.org/10.1002/1097-461x(2000)80:4/5<1024::aid-qua51>3.0.co;2-p
Skurski, P., Gutowski, M. & Simons, J. How to choose a one‐electron basis set to reliably describe a dipole‐bound anion. International Journal of Quantum Chemistry 80, 1024-1038 (2000).
https://doi.org/10.1002/1097-461x(2000)80:4/5<1024::aid-qua51>3.3.co;2-g
Skurski, P., Gutowski, M. & Simons, J. On the possibility of binding of two electrons to dipole potentials. International Journal of Quantum Chemistry 76, 197-204 (2000).
https://doi.org/10.1002/(sici)1097-461x(2000)76:2<197::aid-qua9>3.0.co;2-d
Skurski, P., Gutowski, M. & Simons, J. On the possibility of binding of two electrons to dipole potentials. International Journal of Quantum Chemistry 76, 197 (2000).
https://doi.org/10.1002/(sici)1097-461x(2000)76:2<197::aid-qua9>3.3.co;2-4
Skurski, P., Gutowski, M. & Simons, J. Mixed valence/dipole-bound dianions. The Journal of Chemical Physics 111, 9469-9474 (1999).
Skurski, P. & Gutowski, M. Ab initio study of the dipole-bound anion (H2O…HCl)−. The Journal of Chemical Physics 111, 3004-3011 (1999).
Gutowski, M. & Skurski, P. Theoretical study of the quadrupole-bound anion (BeO)2−. Chemical Physics Letters 303, 65-75 (1999).
Rak, J., Skurski, P. & Błażejowski, J. Toward an Understanding of the Chemiluminescence Accompanying the Reaction of 9-Carboxy-10-methylacridinium Phenyl Ester with Hydrogen Peroxide. The Journal of Organic Chemistry 64, 3002-3008 (1999).
Gutowski, M. & Skurski, P. Electron binding energies in linear dipole-bound (HCN)− (n=2–5) anions. Chemical Physics Letters 300, 331-338 (1999).
Rak, J., Krzymiński, K., Skurski, P., Jóźwiak, L. & Błażejowski, J. IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives. Journal of Molecular Structure 476, 45-55 (1999).
Skurski, P., Gutowski, M. & Simons, J. Dipole-Bound Anion of the HNNH3 Isomer of Hydrazine. An Ab Initio Study. The Journal of Physical Chemistry A 103, 625-631 (1999).
Skurski, P., Gutowski, M. & Simons, J. Theoretical study of the dipole-bound anion (HPPH3)−. The Journal of Chemical Physics 110, 274-280 (1999).
Skurski, P., Jasionowski, M. & Błażejowski, J. A Theoretical Approach to the Description of the Thermal Dissociation of N,N,N-Trimethylmethanaminium Halides. Journal of Thermal Analysis and Calorimetry 54, 189-195 (1998).
Rak, J., Krzymiński, K., Skurski, P., Jóźwiak, L., Könitz, A., Dokurno, P. & Błażejowski, J. X-Ray, Quantum Mechanics and Density Functional Methods in the Examination of Structure and Tautomerism of N -Methyl-Substituted Acridin-9-amine Derivatives. Australian Journal of Chemistry 51, 643-652 (1998).
Skurski, P. & Gutowski, M. Theoretical study of the dipole-bound anion (H2O…NH3)−. The Journal of Chemical Physics 108, 6303-6311 (1998).
Gutowski, M., Jordan, K. D. & Skurski, P. Electronic Structure of Dipole-Bound Anions. The Journal of Physical Chemistry A 102, 2624-2633 (1998).
Gutowski, M. & Skurski, P. Dispersion Stabilization of Solvated Electrons and Dipole-Bound Anions. The Journal of Physical Chemistry B 101, 9143-9146 (1997).
Jóźwiak, L., Skurski, P., Rak, J. & Błżejowski, J. Stationary and time-resolved fluorescence investigations combined with studies of tautomeric phenomena in neutral and protonated 9-acridinamine. Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy 53, 1723-1733 (1997).
Gutowski, M. & Skurski, P. Theoretical study of the dipole-bound anion (HF)2−. The Journal of Chemical Physics 107, 2968-2973 (1997).
Rak, J., Skurski, P., Jóźwiak, L. & Błażejowski, J. Theoretical Studies on the Effect of the Medium on Tautomeric Phenomena in Neutral and Protonated Acridin-9-amine. Mechanism of Tautomerization in Neutral Entities. Australian Journal of Chemistry 50, 97-108 (1997).
Liwo, A., Skurski, P., Ołdziej, S., Łankiewicz, L., Malicka, J. B. & Wiczk, W. M. A new approach to the resolution of the excitation-emission spectra of multicomponent systems. Computers & Chemistry 21, 89-96 (1997).
Gutowski, M., Skurski, P., Jordan, K. D. & Simons, J. Energies of dipole-bound anionic states. International Journal of Quantum Chemistry 64, 183-191 (1997).
https://doi.org/10.1002/(sici)1097-461x(1997)64:2<183::aid-qua5>3.0.co;2-s
Rak, J., Skurski, P., Gutowski, M., Jóźwiak, L. & Błażejowski, J. Hartree−Fock and Density Functional Methods and IR and NMR Spectroscopies in the Examination of Tautomerism and Features of Neutral 9-Acridinamine in Gaseous and Condensed Media. The Journal of Physical Chemistry A 101, 283-292 (1997).
Gutowski, M., Simons, J., Skurski, P. & Jordan, K. D. Electron binding energies in dipole-bound anions. OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (1996).
Gutowski, M., Skurski, P., Boldyrev, A. I., Simons, J. & Jordan, K. D. Contribution of electron correlation to the stability of dipole-bound anionic states. Physical Review A 54, 1906-1909 (1996).
Rulewski, J., Skurski, P., Dokurno, P. & Błażejowski, J. Crystal Lattice Energy of Aminoacid Hydrohalides. Molecular crystals and liquid crystals science technology. Section A, Molecular crystals and liquid crystals/Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals 279, 219-231 (1996).
Błażejowski, J., Skurski, P. & Lampe, F. W. The absorption of pulsed CO2-laser radiation by tetrafluorosilane at various wavenumbers, fluences, pulse durations, temperatures, optical path lengths and pressures of absorbing and non-absorbing gases. Applied Physics B 62, 183-189 (1996).
Wiczk, W. M., Stachowiak, K., Skurski, P., Łankiewicz, L., Michniewicz, A. & Rój, A. Photophysics of 7-Hydroxytetrahydroisoquinoline-3-carboxylic Acid and Its Derivatives. Journal of the American Chemical Society 118, 8300-8307 (1996).
Błażejowski, J., Rak, J. & Skurski, P. Theoretical methods in thermodynamics of condensed phases. Journal of Thermal Analysis and Calorimetry 45, 829-838 (1995).
Rulewski, J., Rak, J., Dokurno, P., Skurski, P. & Błażejowski, J. Theoretical prediction of enthalpies and temperatures of sublimation of organochlorine compounds including pesticides. Journal of Thermal Analysis and Calorimetry 45, 839-847 (1995).
Rak, J., Skurski, P., Liwo, A. & Błażejowski, J. Theoretical Studies on the Structure, Stability, Ability To Undergo Internal Transformations, and Tautomerization, as Well as Reactivity, of H2PPH2 and HPPH3 Molecules. Journal of the American Chemical Society 117, 2638-2648 (1995).
Rak, J., Skurski, P., Gutowski, M. & Błażejowski, J. Thermodynamics of the thermal decomposition of calcium oxalate monohydrate examined theoretically. Journal of Thermal Analysis and Calorimetry 43, 239-246 (1995).
Kawińska., M., Łankiewicz, L., Skurski, P., Mazewicz., B., Wiczak., W., Ołdziej, S. & Liwo, A. fluorescence energy transfer in the series of leucine- enkephalin analogues. Polish Journal of Chemistry 68, 975-985 (1994).