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B. Szyja · SciRah

Researcher profile · Semantic Scholar

B. Szyja

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B. Szyja — researcher profile on SciRah

h-index: 16
Works: 71
Citations: 1,049

Most-cited papers

High flux high-silica SSZ-13 membrane for CO2 separation
N. Kosinov, C. Auffret, C. Gücüyener, B. Szyja +3 more
2014154 citations
Semantic Scholar
Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to-olefins reaction.
Leilei L Wu, V. Degirmenci, P. Magusin, B. Szyja +1 more
2012Chemical Communications110 citations Open access
Semantic Scholar
Catalytic Hydrogenation of CO2 to Formates by a Lutidine-Derived Ru–CNC Pincer Complex: Theoretical Insight into the Unrealized Potential
G. Filonenko, D. Smykowski, B. Szyja, Guan-Na Li +3 more
2015104 citations Open access
Semantic Scholar
Unfolding and Mechanochemical Scission of Supramolecular Polymers Containing a Metal–Ligand Coordination Bond
R. Groote, B. Szyja, E. Pidko, E. Hensen +1 more
201154 citations
Semantic Scholar
Strain-Induced Strengthening of the Weakest Link: The Importance of Intermediate Geometry for the Outcome of Mechanochemical Reactions
R. Groote, B. Szyja, Frank A. Leibfarth, C. Hawker +2 more
201452 citations
Semantic Scholar
TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth
S. Civiš, Rafał Szabla, B. Szyja, D. Smykowski +6 more
2016Scientific Reports41 citations Open access
Semantic Scholar
Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study
Xue-Qing Zhang, E. Iype, Sv Silvia Nedea, A. Jansen +3 more
201439 citations
Semantic Scholar
Multiple zeolite structures from one ionic liquid template.
J. M. Martínez-Blanes, B. Szyja, F. Romero-Sarria, M. Centeno +3 more
2013Chemistry39 citations
Semantic Scholar
Multi-level Modeling of Silica–Template Interactions During Initial Stages of Zeolite Synthesis
Toon Verstraelen, B. Szyja, David Lesthaeghe, Reinout Declerck +8 more
200934 citations
Semantic Scholar
DFT modeling of CO2 adsorption on Cu, Zn, Ni, Pd/DOH zeolite.
D. Smykowski, B. Szyja, J. Szczygieł
2013Journal of Molecular Graphics and Modelling29 citations
Semantic Scholar
The relative stability of zeolite precursor tetraalkylammonium–silicate oligomer complexes
B. Szyja, Pd Peter Vassilev, T. Trinh, R. V. van Santen +1 more
201125 citations
Semantic Scholar
Water splitting on TiO2‑based electrochemical cells:a small cluster study
F. Rodríguez-Hernández, D. Tranca, B. Szyja, R. V. van Santen +3 more
201619 citations
Semantic Scholar
The Properties and Activity of TiO2/beta‐SiC Nanocomposites in Organic Dyes Photodegradation
Katarzyna Pstrowska, B. Szyja, H. Czapor-Irzabek, Adam Kiersnowski +1 more
2017Photochemistry and Photobiology18 citations
Semantic Scholar
Tuning the Hematite (110) Surface Properties To Enhance Its Efficiency in Photoelectrochemistry
A. Podsiadły-Paszkowska, I. Tranca, B. Szyja
2019Journal of Physical Chemistry C16 citations Open access
Semantic Scholar
Establishing hierarchy: the chain of events leading to the formation of silicalite-1 nanosheets
Xiao-Chun Zhu, M. Goesten, A. Koekkoek, B. Mezari +8 more
2016Chemical Science16 citations Open access
Semantic Scholar
Retro-analysis of silicate aggregation in pentasil zeolite formation
B. Szyja, E. Hensen, R. V. van Santen
201116 citations
Semantic Scholar
Molecular dynamics study of the silica-water-SDA interactions.
B. Szyja, A. Jansen, Toon Verstraelen, R. V. van Santen
2009Physical Chemistry, Chemical Physics - PCCP16 citations
Semantic Scholar
Photoisomerization induced scission of rod-like micelles unravelled with multiscale modeling.
Gabriel Heerdt, I. Tranca, A. J. Markvoort, B. Szyja +2 more
2018Journal of Colloid and Interface Science15 citations Open access
Semantic Scholar
A DFT Study of CO2 Hydrogenation on Faujasite‐Supported Ir4 Clusters: on the Role of Water for Selectivity Control
B. Szyja, D. Smykowski, J. Szczygieł, E. Hensen +1 more
2016ChemCatChem15 citations Open access
Semantic Scholar
Diffusion of hydrocarbons in the reforming catalyst: molecular modelling.
J. Szczygieł, B. Szyja
2004Journal of Molecular Graphics and Modelling15 citations
Semantic Scholar
Effect of Newly Synthesized Structures of Peptides on the Stability of the Monolayers Formed
I. Golonka, K. Greber, B. Szyja, Patrycja P. Petrus +2 more
2023International Journal of Molecular Sciences12 citations Open access
Semantic Scholar
Insight into the Formation of Nanostructured MFI Sheets and MEL Needles Driven by Molecular Recognition
R. Rohling, B. Szyja, E. Hensen
2019The journal of physical chemistry. C, Nanomaterials and interfaces12 citations Open access
Semantic Scholar
Hydrophosphonylation of chiral hexahydroquinoxalin-2(1H)-one derivatives as an effective route to new bicyclic compounds: Aminophosphonates, enamines and imines
J. Iwanejko, A. Brol, B. Szyja, M. Daszkiewicz +2 more
2019Tetrahedron12 citations
Semantic Scholar
Supported Ru Metalloporphyrins for Electrocatalytic CO2 Conversion
Kinga E. Szkaradek, K. Buzar, Evgeny A. Pidko, B. Szyja
201812 citations Open access
Semantic Scholar
Hydrodesulphurisation of 4,6-dimethyldibenzothiophene over NiMo catalysts supported on Ti(Al) modified MCM-41
K. Jaroszewska, Marek Lewandowski, J. Grzechowiak, B. Szyja
201112 citations
Semantic Scholar
Assessment of the Influence of the Selected Range of Visible Light Radiation on the Durability of the Gel with Ascorbic Acid and Its Derivative
I. Golonka, Beata Kizior, B. Szyja, Mateusz P. Damek +1 more
2022International Journal of Molecular Sciences11 citations Open access
Semantic Scholar
The CO2 dissociation mechanism on the small copper clusters—the influence of geometry
O. Klaja, J. Szczygieł, J. Trawczyński, B. Szyja
2017Theoretical Chemistry accounts11 citations Open access
Semantic Scholar
2‐Electron Reduction of CO2 by Graphene Supported Ru Complexes – on the Role of Electron Donation.
B. Szyja
201810 citations
Semantic Scholar
On the nature of inter- and intramolecular interactions involving benzo[h]quinoline and 10-hydroxybenzo[h]quinoline: Electronic ground state vs excited state study
Aneta Jezierska, Beata Kizior, B. Szyja, J. Panek
20219 citations
Semantic Scholar
Helping Thy Neighbor: How Cobalt Doping Alters the Electrocatalytic Properties of Hematite
B. Szyja, A. Podsiadły-Paszkowska
2020Journal of Physical Chemistry Letters9 citations Open access
Semantic Scholar
Electric conductance of a mechanically strained molecular junction from first principles: Crucial role of structural relaxation and conformation sampling
Huu Chuong Nguyen, B. Szyja, N. Doltsinis
20149 citations
Semantic Scholar
DFT Study on mechanochemical bond breaking in COGEF and Molecular Dynamics simulations
B. Szyja, E. Pidko, R. Groote, E. Hensen +1 more
2011International Conference on Conceptual Structures9 citations Open access
Semantic Scholar
Aminophosphonates and aminophosphonic acids with tetrasubstituted stereogenic center: diastereoselective synthesis from cyclic ketimines.
J. Iwanejko, A. Brol, B. Szyja, M. Daszkiewicz +2 more
2019Organic and biomolecular chemistry8 citations
Semantic Scholar
Synergy between TiO2 and Co(x)O(y) sites in electrocatalytic water decomposition.
B. Szyja, R. V. van Santen
2015Physical Chemistry, Chemical Physics - PCCP8 citations Open access
Semantic Scholar
GCMC simulations of CO2 adsorption on zeolite-supported Ir4 clusters.
D. Smykowski, B. Szyja, J. Szczygieł
2014Journal of Molecular Graphics and Modelling8 citations
Semantic Scholar
The pathways of the CO2 hydrogenation by NiCu/ZnO from DFT molecular dynamics simulations.
Elżbieta Dziadyk, J. Trawczyński, B. Szyja
2020Journal of Molecular Graphics and Modelling7 citations
Semantic Scholar
Computer simulated diffusion of C7 hydrocarbons in microporous materials : Molecular modeling
J. Szczygieł, B. Szyja
20057 citations
Semantic Scholar
Mixing ReaxFF parameters for transition metal oxides using force-matching method
Adam Włodarczyk, Mariusz Uchroński, A. Podsiadły-Paszkowska, Joanna Irek +1 more
2021Journal of Molecular Modeling6 citations Open access
Semantic Scholar
Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car-Parrinello Molecular Dynamics
Beata Kizior, J. Panek, B. Szyja, Aneta Jezierska
2021Symmetry5 citations Open access
Semantic Scholar
Conformation-dependent conductance through a molecular break junction
B. Szyja, Huu Chuong Nguyen, D. Kosov, N. Doltsinis
2013Journal of Molecular Modeling5 citations
Semantic Scholar
On the design of models for an accurate description of the water - hematite interface
J. J. Gutiérrez-Sevillano, A. Podsiadły-Paszkowska, B. Szyja, S. Calero
20214 citations Open access
Semantic Scholar
Modeling the adsorption of aromatic compounds on the TiO2/SiO2 catalyst
B. Szyja, K. Brodzik
2007Journal of Molecular Modeling4 citations
Semantic Scholar
Adsorption equilibria of hydrocarbons in the structure of the reforming catalyst: molecular modeling.
J. Szczygieł, B. Szyja
2006Journal of Molecular Graphics and Modelling4 citations
Semantic Scholar
Dehydroxylation of smectites from Nudged Elastic Band and Born-Oppenheimer Molecular Dynamics simulations
Karol Kułacz, B. Szyja, K. Orzechowski, Aneta Jezierska
2023Applied Clay Science3 citations
Semantic Scholar
How a small modification in the imidazolium-based SDA can determine the zeolite structure? MFI vs. TON
Cristina Megías-Sayago, J. M. Martínez-Blanes, B. Szyja, J. Odriozola +1 more
2021Microporous and Mesoporous Materials3 citations
Semantic Scholar
Sensitivity of Intra- and Intermolecular Interactions of Benzo[h]quinoline from Car–Parrinello Molecular Dynamics and Electronic Structure Inspection
J. Panek, J. Zasada, B. Szyja, Beata Kizior +1 more
2021International Journal of Molecular Sciences3 citations Open access
Semantic Scholar
The role of Ir4 cluster in enhancing the adsorption of CO2 on selected zeolites - GCMC simulations.
D. Smykowski, Kacper Nowak, R. Łuzny, J. Szczygieł +1 more
2015Journal of Molecular Graphics and Modelling3 citations
Semantic Scholar
Adsorption of C7 hydrocarbons in microporus materials: molecular modeling
J. Szczygieł, B. Szyja
20043 citations
Semantic Scholar
The Influence of Ni Addition in the Mechanism of CO2 Electroreduction on Cu Crystals—Mechanistic Insight from DFT Simulations
Elżbieta Dziadyk-Stopyra, I. Tranca, D. Smykowski, B. Szyja
2023Materials2 citations Open access
Semantic Scholar
Impact of the Zn source on the RSN-type zeolite formation
Ana Palčić, B. Szyja, M. Mičetić, T. Čendak +6 more
2019Inorganic Chemistry Frontiers2 citations Open access
Semantic Scholar

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