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1

hydrogenation by NiCu/ZnO from DFT Molecular Dynamics simulations

Dziadyk, ElÅ¼bieta, TrawczyÅski, Janusz, Szyja, BartÅomiej M.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2020

File:

PDF, 8.17 MB

2020

2

Characterization of Mg2+-ATPase from slow-twitch muscle membranes

Wieslz.shtslsawa Szyja, Antoni Wrzosek, Bozena Korczak, M.Gabriela Sarzalz.shtslsa

Journal:

International Journal of Biochemistry

Year:

1987

Language:

english

File:

PDF, 598 KB

english, 1987

3

Adsorption of C7 hydrocarbons in microporus materials: molecular modeling

Jerzy Szczygieł, Bartłomiej Szyja

Journal:

Microporous and Mesoporous Materials

Year:

2004

Language:

english

File:

PDF, 619 KB

english, 2004

4

Computer simulated diffusion of C7 hydrocarbons in microporous materials: Molecular modeling

Jerzy Szczygieł, Bartłomiej Szyja

Journal:

Microporous and Mesoporous Materials

Year:

2005

Language:

english

File:

PDF, 1.30 MB

english, 2005

5

Energetically preferred locations of hydrocarbons in the structure of a Pt-Sn/γ-Al2O3 catalyst: docking method

Bartłomiej Szyja, Jerzy Szczygieł

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2004

Language:

english

File:

PDF, 937 KB

english, 2004

6

Retro-analysis of silicate aggregation in pentasil zeolite formation

B.M. Szyja, E.J.M. Hensen, R.A. van Santen

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 4.63 MB

english, 2011

7

Simulating adsorption of n-heptane in the Pt/Al2O3 model: Influence of platinum

Bartłomiej Szyja, Jerzy Szczygieł

Journal:

Journal of Molecular Graphics and Modelling

Year:

2005

Language:

english

File:

PDF, 360 KB

english, 2005

8

Physical nature of catalytic effects of Si→Al substitutions in ZMS-5 zeolite for propylene protonation reaction

P Dziekoński, W.A Sokalski, B Szyja, J Leszczynski

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 462 KB

english, 2002

9

Biosynthesis of oleanolic acid glycosides in isolated ligulate flowers of calendula officinalis

Wiesa̵wa Szyja, Bogusa̵w Wik̵omirski, Zofia Kasprzyk

Journal:

Year:

1983

Language:

english

File:

PDF, 253 KB

english, 1983

10

Effect of Pt and Sn on the adsorption ofn-heptane in γ-Al2O3catalyst models

Bartłomiej Szyja, Jerzy Szczygieł, Iwona Tymków

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 780 KB

english, 2005

11

Modeling the adsorption of aromatic compounds on the TiO2/SiO2catalyst

Bartłomiej Szyja, Krzysztof Brodzik

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 486 KB

english, 2007

12

Modeling benzene sorption and diffusion in a γAl2O3catalyst

BartŁomiej Szyja, Jerzy Szczygieł

Journal:

Scientific Modeling and Simulation SMNS

Year:

2004

Language:

english

File:

PDF, 321 KB

english, 2004

13

Multi-level Modeling of Silica–Template Interactions During Initial Stages of Zeolite Synthesis

Toon Verstraelen, Bartłomiej M. Szyja, David Lesthaeghe, Reinout Declerck, Veronique Van Speybroeck, Michel Waroquier, Antonius P. J. Jansen, Alexander Aerts, Lana R. A. Follens, Johan A. Martens, Chr

Journal:

Topics in Catalysis

Year:

2009

Language:

english

File:

PDF, 563 KB

english, 2009

14

Diffusion of hydrocarbons in the reforming catalyst: molecular modelling

Jerzy Szczygieł, Bartłomiej Szyja

Journal:

Journal of Molecular Graphics and Modelling

Year:

2004

Language:

english

File:

PDF, 852 KB

english, 2004

15

Adsorption equilibria of hydrocarbons in the structure of the reforming catalyst: Molecular modeling

Jerzy Szczygieł, Bartłomiej Szyja

Journal:

Journal of Molecular Graphics and Modelling

Year:

2006

Language:

english

File:

PDF, 918 KB

english, 2006

16

Interaction of calmodulin and its fragments with Ca2+-ATPase and myosin light chain kinase

W. Szyja, A. Wrzosek, H. Brzeska, M.G. Sarzak̷a

Journal:

Year:

1986

Language:

english

File:

PDF, 1.08 MB

english, 1986

17

Hydrodesulphurisation of 4,6-dimethyldibenzothiophene over NiMo catalysts supported on Ti(Al) modified MCM-41

Karolina Jaroszewska, Marek Lewandowski, Jolanta R. Grzechowiak, Bartłomiej Szyja

Journal:

Catalysis Today

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

18

The relative stability of zeolite precursor tetraalkylammonium–silicate oligomer complexes

B.M. Szyja, P. Vassilev, T.T. Trinh, R.A. van Santen, E.J.M. Hensen

Journal:

Microporous and Mesoporous Materials

Year:

2011

Language:

english

File:

PDF, 829 KB

english, 2011

19

Effect of chronic exposure to nitrogen dioxide on collagen content in lung and skin of guinea pigs

Marian Dróz̊dz̊, Eugeniusz Kucharz, Jan Szyja

Journal:

Environmental Research

Year:

1977

Language:

english

File:

PDF, 2.78 MB

english, 1977

20

Conformation-dependent conductance through a molecular break junction

Bartłomiej M. Szyja, Huu Chuong Nguyen, Daniel Kosov…

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 957 KB

english, 2013

21

Unfolding and Mechanochemical Scission of Supramolecular Polymers Containing a Metal–Ligand Coordination Bond

Groote, Ramon, Szyja, Bartłomiej M., Pidko, Evgeny A., Hensen, Emiel J. M., Sijbesma, Rint P.

Journal:

Year:

2011

Language:

english

File:

PDF, 1.80 MB

english, 2011

22

DFT modeling of CO2 adsorption on Cu, Zn, Ni, Pd/DOH zeolite

Smykowski, Daniel, Szyja, Bartłomiej, Szczygieł, Jerzy

Journal:

Journal of Molecular Graphics and Modelling

Year:

2013

Language:

english

File:

PDF, 1.42 MB

english, 2013

23

Erratum to: Conformation-dependent conductance through a molecular break junction

Szyja, Bartłomiej M., Nguyen, Huu Chuong, Kosov, Daniel, Doltsinis, Nikos L.

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 334 KB

english, 2013

24

Multiple Zeolite Structures from One Ionic Liquid Template

Martínez Blanes, José María, Szyja, Bartłomiej M., Romero-Sarria, Francisca, Centeno, Miguel Ángel, Hensen, Emiel J. M., Odriozola, José Antonio, Ivanova, Svetlana

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

25

GCMC simulations of CO2 adsorption on zeolite-supported Ir4 clusters

Smykowski, Daniel, Szyja, Bartłomiej, Szczygieł, Jerzy

Journal:

Journal of Molecular Graphics and Modelling

Year:

2014

Language:

english

File:

PDF, 2.37 MB

english, 2014

26

Site Stability on Cobalt Nanoparticles: A Molecular Dynamics ReaxFF Reactive Force Field Study

Zhang, Xue-Qing, Iype, Eldhose, Nedea, Silvia V., Jansen, Antonius P. J., Szyja, Bartłomiej M., Hensen, Emiel J. M., van Santen, Rutger A.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.92 MB

english, 2014

27

Electric conductance of a mechanically strained molecular junction from first principles: Crucial role of structural relaxation and conformation sampling

Nguyen, Huu Chuong, Szyja, Bartłomiej M., Doltsinis, Nikos L.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

28

Strain-Induced Strengthening of the Weakest Link: The Importance of Intermediate Geometry for the Outcome of Mechanochemical Reactions

Groote, Ramon, Szyja, Bartłomiej M., Leibfarth, Frank A., Hawker, Craig J., Doltsinis, Nikos L., Sijbesma, Rint P.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.62 MB

english, 2014

29

Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to-olefins reaction

Wu, Leilei, Degirmenci, Volkan, Magusin, Pieter C. M. M., Szyja, Bartłomiej M., Hensen, Emiel J. M.

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 1.14 MB

english, 2012

30

Molecular dynamics study of the silica–water–SDA interactions

Szyja, Bartłomiej, Jansen, Antonius, Verstraelen, Toon, van Santen, Rutger

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.39 MB

english, 2009

31

High flux high-silica SSZ-13 membrane for CO 2 separation

Kosinov, Nikolay, Auffret, Clement, Gücüyener, Canan, Szyja, Bartłomiej M., Gascon, Jorge, Kapteijn, Freek, Hensen, Emiel J. M.

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.20 MB

english, 2014

32

Catalytic Hydrogenation of CO 2 to Formates by a Lutidine-Derived Ru–CNC Pincer Complex: Theoretical Insight into the Unrealized Potential

Filonenko, Georgy A., Smykowski, Daniel, Szyja, Bartłomiej M., Li, Guanna, Szczygieł, Jerzy, Hensen, Emiel J. M., Pidko, Evgeny A.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.97 MB

english, 2015

33

Synergy between TiO 2 and Co x O y sites in electrocatalytic water decomposition

Szyja, Bartłomiej M., van Santen, Rutger A.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 6.73 MB

english, 2015

34

The role of Ir4 cluster in enhancing the adsorption of CO2 on selected zeolites – GCMC simulations

Smykowski, Daniel, Nowak, Kacper, Łużny, Rafał, Szczygieł, Jerzy, Szyja, Bartłomiej M.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2015

Language:

english

File:

PDF, 2.75 MB

english, 2015

35

Cooperation of local governments and enterprises to support the provision of sustainable transport infrastructure

Górka, Kazimierz, Szyja, Paulina

Journal:

Management of Environmental Quality An International Journal

Year:

2015

Language:

english

File:

PDF, 469 KB

english, 2015

36

Water Splitting on TiO 2 -Based Electrochemical Cells, a Small Cluster Study

Rodriguez-Hernandez, Fermin, Tranca, Diana C., Szyja, Bartlomiej M., van Santen, Rutger A., Martínez Mesa, Aliezer, Uranga-Pina, Llinersy, Seifert, Gotthard

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

37

Kinetically Controlled Formation of Formamide Trimer from First Principles

Szyja, Bartłomiej M., Antoniou, Anna, Doltsinis, Nikos L.

Journal:

Year:

2013

Language:

english

File:

PDF, 676 KB

english, 2013

38

Establishing hierarchy: the chain of events leading to the formation of silicalite-1 nanosheets

Zhu, Xiaochun, Goesten, Maarten G., Koekkoek, Arjan J. J., Mezari, Brahim, Kosinov, Nikolay, Filonenko, Georgy, Friedrich, Heiner, Rohling, Roderigh, Szyja, Bartłomiej M., Gascon, Jorge, Kapteijn, Fre

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 2.06 MB

english, 2016

39

A DFT Study of CO 2 Hydrogenation on Faujasite-Supported Ir 4 Clusters: on the Role of Water for Selectivity Control

Szyja, Bartłomiej M., Smykowski, Daniel, Szczygieł, Jerzy, Hensen, Emiel J. M., Pidko, Evgeny A.

Journal:

Year:

2016

Language:

english

File:

PDF, 2.78 MB

english, 2016

40

Corrigendum: TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth

Civiš, Svatopluk, Szabla, Rafał, Szyja, Bartłomiej M., Smykowski, Daniel, Ivanek, Ondřej, Knížek, Antonín, Kubelík, Petr, Šponer, Jiří, Ferus, Martin, Šponer, Judit E.

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 124 KB

english, 2016

41

The Properties and Activity of TiO 2 /beta-SiC Nanocomposites in Organic Dyes Photodegradation

Pstrowska, Katarzyna, Szyja, Bartłomiej Maciej, Czapor-Irzabek, Hanna, Kiersnowski, Adam, Walendziewski, Jerzy

Journal:

Photochemistry and Photobiology

Year:

2017

Language:

english

File:

PDF, 820 KB

english, 2017

42

Supported Ru metalloporphyrins for the electrocatalytic CO2 conversion

Szkaradek, Kinga, Buzar, Krzysztof, Pidko, Evgeny, Szyja, Bartłomiej M.

Journal:

Year:

2017

Language:

english

File:

PDF, 5.18 MB

english, 2017

43

The CO2 dissociation mechanism on the small copper clusters—the influence of geometry

Klaja, Oskar, Szczygieł, Jerzy, Trawczyński, Janusz, Szyja, Bartłomiej M.

Journal:

Theoretica Chimica Acta

Year:

2017

Language:

english

File:

PDF, 1.49 MB

english, 2017

44

Photoisomerization induced scission of rod-like micelles unravelled with multiscale modeling

Heerdt, Gabriel, Tranca, Ionut, Markvoort, Albert J., Szyja, Bartłomiej M., Morgon, Nelson H., Hensen, Emiel J.M.

Journal:

Journal of Colloid and Interface Science

Year:

2017

Language:

english

File:

PDF, 2.18 MB

english, 2017

45

2-electron reduction of CO2 by graphene supported Ru complexes - on the role of electron donation.

Szyja, Bartłomiej M.

Journal:

ChemElectroChem

Year:

2018

Language:

english

File:

PDF, 2.46 MB

english, 2018

46

Cover Feature: Supported Ru Metalloporphyrins for Electrocatalytic CO 2 Conversion (ChemCatChem 8/2018)

Szkaradek, Kinga, Buzar, Krzysztof, Pidko, Evgeny A., Szyja, Bartłomiej M.

Journal:

Year:

2018

File:

PDF, 1.19 MB

2018

47

Ecophysiological characterization of early successional biological soil crusts in heavily human-impacted areas

Szyja, Michelle, Büdel, Burkhard, Colesie, Claudia

Journal:

Year:

2018

Language:

english

File:

PDF, 3.71 MB

english, 2018

48

Structure directing effect of zinc in zeolite formation

Palcic, Ana, Szyja, Bartlomiej M., Mičetić, Maja, Čendak, Tomaž, Akouche, Mariame, Juraić, Krunoslav, Čargonja, Marija, Mekterović, Darko, Vušak, Vitomir, Valtchev, Valentin

Journal:

Inorganic Chemistry Frontiers

Year:

2019

Language:

english

File:

PDF, 1.96 MB

english, 2019

49

Aminophosphonates and aminophosphonic acids with tetrasubstituted stereogenic center: diastereoselective synthesis from cyclic ketimines

Olszewski, Tomasz K., Iwanejko, Jakub, Brol, Anna, Daszkiewicz, Marek, Szyja, Barlomiej, Wojaczynska, Elzbieta

Journal:

Organic & Biomolecular Chemistry

Year:

2019

Language:

english

File:

PDF, 1.62 MB

english, 2019

50

Helping Thy Neighbor: How Cobalt Doping Alters the Electrocatalytic Properties of Hematite

Szyja, Bartlomiej M., PodsiadÅy-Paszkowska, Agata

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 2.99 MB

2020