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Dr. Matthias Vandichel

Biography

Matthias Vandichel is a Lecturer in chemical engineering at the University of Limerick. He is a chemical engineering graduate from Ghent University (2003-2008). After his M.Sc. studies, he obtained a PhD-fellowship from Ghent University to investigate catalytic reactions within zeolites and metal organic frameworks (2008-2012). After his PhD, he expanded his research activities to the active site modulation of catalysts as postdoctoral fellow of the Research Foundation Flanders (2013-2016). During this period, he visited two catalysis centres; IRCELyon (France) and the competence centre for catalysis in Chalmers (Sweden). He continued as a researcher at Chalmers (2016-2018), focusing on ab initio thermodynamics, kinetic modelling and the prediction of core level shifts. In September 2018, he joined Aalto University (Finland) to work primarily on the computational electrochemistry topics, such as the description of heterogeneous oxygen evolution catalysts. During his PhD and postdoctoral periods, he has gathered expertise within molecular modeling techniques and catalysis by being embedded within various interdisciplinary research environments. Since October 2019, he works at the University of Limerick as Lecturer within the Department of Chemical Sciences and as Principle Investigator within the Bernal Institute.

Research interests: Computational catalysis, Electronic structure calculations, High-performance computing, Molecular Modeling

Teaching: Module leader of Chemical engineering thermodynamics (CG4005), Process Control and Modeling (CH4404), Module co-lecturer for Chemical Engineering Design Methods (CG5031).

Additional Links:More information on the Materials & Catalysis Modeling group and links to other modeling activities within the Bernal Institute can be found on MACATAMO-group.com. Matthias' research can be followed via Google Scholar, ORCID, Scopus, ResearcherID, ResearchGate and Twitter.

Qualifications:
M.Sc., Chemical Engineering, Ghent University, Belgium, 2008
Ph.D., Ghent University, Belgium, 2012




Research Interests

Research interests: Computational catalysis, Electronic structure calculations, High-performance computing, Molecular Modeling

Matthias' current research interests include computational catalysis (including electro and photo catalysis) and applications of kinetic modeling and Monte Carlo methods to study reaction networks and adsorption phenomena on heterogeneous material interfaces as well as the application of these techniques to describe adsorption and separation of molecules within crystalline porous materials.





Teaching Interests

Teaching interests: Module leader of Chemical engineering thermodynamics (CG4005), Process Control and Modeling (CH4404), Module co-lecturer for Chemical Engineering Design Methods (CG5031), Molecular Modeling.

Publications

Peer Reviewed Journals

2021

Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry
Pengshang Zhou, Pieter Schiettecatte, Matthias Vandichel, Anastasia Rousaki, Peter Vandenabeele, Zeger Hens, Shalini Singh
(2021) Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry
In Crystal Growth & Design;
DOI: 10.1021/acs.cgd.0c01036

2020

Microwave-heated γ-Alumina Applied to the Reduction of Aldehydes to Alcohols
Dhokale B.;Susarrey-Arce A.;Pekkari A.;Runemark A.;Moth-Poulsen K.;Langhammer C.;Härelind H.;Busch M.;Vandichel M.;Sundén H.
(2020) Microwave-heated γ-Alumina Applied to the Reduction of Aldehydes to Alcohols
In Chemcatchem; pp. 6344-6355
DOI: 10.1002/cctc.202001284

2020

Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route
Vandichel M.;Busch M.;Laasonen K.
(2020) Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route
In Chemcatchem;
DOI: 10.1002/cctc.201901951
[ULIR]

2020

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism
Vandichel M.;Laasonen K.;Kondov I.
(2020) Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism
In Topics In Catalysis;
DOI: 10.1007/s11244-020-01334-8

2020

Engineering of a highly stable metal-organic Co-film for efficient electrocatalytic water oxidation in acidic media
Younus H.A.;Vandichel M.;Ahmad N.;Ahlberg E.;Busch M.;Verpoort F.
(2020) Engineering of a highly stable metal-organic Co-film for efficient electrocatalytic water oxidation in acidic media
In Materials Today Energy;
DOI: 10.1016/j.mtener.2020.100437

2020

Understanding Solid-gas Reaction Mechanisms by Operando Soft X-ray Absorption Spectroscopy at Ambient Pressure
Braglia, Luca,Fracchia, Martina,Ghigna, Paolo,Minguzzi, Alessandro,Meroni, Daniela,Edla, Raju,Vandichel, Matthias,Ahlberg, Elisabet,Cerrato, Giuseppina,Torelli, Piero
(2020) Understanding Solid-gas Reaction Mechanisms by Operando Soft X-ray Absorption Spectroscopy at Ambient Pressure
In The Journal of Physical Chemistry C; American Chemical Society
[ULIR]

2020

Reversible Switching between Nonporous and Porous Phases of a New SIFSIX Coordination Network Induced by a Flexible Linker Ligand.
Song BQ;Yang QY;Wang SQ;Vandichel M;Kumar A;Crowley C;Kumar N;Deng CH;GasconPerez V;Lusi M;Wu H;Zhou W;Zaworotko MJ;
(2020) Reversible Switching between Nonporous and Porous Phases of a New SIFSIX Coordination Network Induced by a Flexible Linker Ligand.
In Journal of the American Chemical Society;
DOI: 10.1021/jacs.0c01314

2020

Water Oxidation at Neutral pH using a Highly Active Copper-Based Electrocatalyst
Younus H.A.;Zhang Y.;Vandichel M.;Ahmad N.;Laasonen K.;Verpoort F.;Zhang C.;Zhang S.
(2020) Water Oxidation at Neutral pH using a Highly Active Copper-Based Electrocatalyst
In Chemsuschem;
DOI: 10.1002/cssc.202001444

2019

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
(2019) Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
In Inorganic Chemistry;
DOI: 10.1021/acs.inorgchem.9b01785

2019

Initial Fe3O4(100) Formation on Fe(100)
(2019) Initial Fe3O4(100) Formation on Fe(100)
In Journal Of Physical Chemistry C;
DOI: 10.1021/acs.jpcc.9b04625

2019

Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route
Vandichel, Matthias,Busch, Michael,Laasonen, Kari
(2019) Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route
In ChemCatChem; John Wiley & Sons, Ltd

2019

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
Belviso, Florian,Claerbout, Victor E. P.,Comas-Vives, Aleix,Dalal, Naresh S.,Fan, Feng-Ren,Filippetti, Alessio,Fiorentini, Vincenzo,Foppa, Lucas,Franchini, Cesare,Geisler, Benjamin,Ghiringhelli, Luca M.,Groß, Axel,Hu, Shunbo,Íñiguez, Jorge,Kauwe, Steven Kaai,Musfeldt, Janice,L.,Nicolini, Paolo,Pentcheva, Rossitza,Polcar, Tomas,Ren, Wei,Ricci, Fabio,Ricci, Francesco,Sen, Huseyin Sener,Skelton, Jonathan Michael,Sparks, Taylor D.,Stroppa, Alessandro,Urru, Andrea,Vandichel, Matthias,Vavassori, Paolo,Wu, Hua,Yang, Ke,Zhao, Hong Jian,Puggioni, Danilo,Cortese, Remedios,Cammarata, Antonio
(2019) Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
In Inorganic Chemistry; American Chemical Society pp. 14939-14980

2019

A dimer path for CO dissociation on PtSn
Matthias Vandichel;Henrik Grönbeck;
(2019) A dimer path for CO dissociation on PtSn
In Catalysis Science & Technology;
DOI: 10.1039/C8CY01989D

2018

CO Oxidation at SnO2/Pt3Sn(111) Interfaces
Matthias Vandichel;Henrik Grönbeck;
(2018) CO Oxidation at SnO2/Pt3Sn(111) Interfaces
In Topics In Catalysis;
DOI: 10.1007/s11244-018-1044-9

2018

Favourable band edge alignment and increased visible light absorption in β-MoO3/α-MoO3 oxide heterojunction for enhanced photoelectrochemical performance
(2018) Favourable band edge alignment and increased visible light absorption in β-MoO3/α-MoO3 oxide heterojunction for enhanced photoelectrochemical performance
In International Journal Of Hydrogen Energy;
DOI: https://doi.org/10.1016/j.ijhydene.2018.06.138

2017

Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes
Diaz Velazquez, Heriberto;Wu, Zhao-Xuan;Vandichel, Matthias;Verpoort, Francis;
(2017) Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes
In Catalysis Letters;
DOI: 10.1007/s10562-016-1920-5

2017

A Robust Molecular Catalyst Generated In Situ for Photoand Electrochemical Water Oxidation
Younus, Hussein A.;Ahmad, Nazir;Chughtai, Adeel H.;Vandichel, Matthias;Busch, Michael;Van Hecke, Kristof;Yusubov, Mekhman;Song, Shaoxian;Verpoort, Francis;
(2017) A Robust Molecular Catalyst Generated In Situ for Photoand Electrochemical Water Oxidation
In Chemsuschem;
DOI: 10.1002/cssc.201601477

2017

Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn
Matthias Vandichel;Alina Moscu;Henrik Grönbeck;
(2017) Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn
In Acs Catalysis;
DOI: 10.1021/acscatal.7b02094

2016

Origin of highly active metal-organic framework catalysts: defects? Defects!
Canivet, J;Vandichel, M;Farrusseng, D;
(2016) Origin of highly active metal-organic framework catalysts: defects? Defects!
In Dalton Transactions;
DOI: 10.1039/c5dt03522h

2016

Biocompatible Zr-based nanoscale MOFs coated with modified poly (epsilon-caprolactone) as anticancer drug carriers
Filippousi, M;Turner, S;Leus, K;Siafaka, PI;Tseligka, ED;Vandichel, M;Nanaki, SG;Vizirianakis, IS;Bikiaris, DN;Van der Voort, P;Van Tendeloo, G;
(2016) Biocompatible Zr-based nanoscale MOFs coated with modified poly (epsilon-caprolactone) as anticancer drug carriers
In International journal of pharmaceutics;
DOI: 10.1016/j.ijpharm.2016.05.048

2016

Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks
Vandichel, M;Hajek, J;Ghysels, A;De Vos, A;Waroquier, M;Van Speybroeck, V;
(2016) Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks
In Crystengcomm;
DOI: 10.1039/c6ce01027j

2015

Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks
Hajek, J;Vandichel, M;Van de Voorde, B;Bueken, B;De Vos, D;Waroquier, M;Van Speybroeck, V;
(2015) Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2015.08.015

2015

Au@UiO-66: a base free oxidation catalyst (vol 5, pg 22334, 2015)
Leus, K;Concepcion, P;Vandichel, M;Meledina, M;Grirrane, A;Esquivel, D;Turner, S;Poelman, D;Waroquier, M;Van Speybroeck, V;Van Tendeloo, G;Garcia, H;Van der Voort, P;
(2015) Au@UiO-66: a base free oxidation catalyst (vol 5, pg 22334, 2015)
In Rsc Advances;
DOI: 10.1039/c5ra90022k

2015

Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization
Vandichel, M;Hajek, J;Vermoortele, F;Waroquier, M;De Vos, DE;Van Speybroeck, V;
(2015) Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization
In Crystengcomm;
DOI: 10.1039/c4ce01672f

2015

Au@UiO-66: a base free oxidation catalyst
Leus, K;Concepcion, P;Vandichel, M;Meledina, M;Grirrane, A;Esquivel, D;Turner, S;Poelman, D;Waroquier, M;Van Speybroeck, V;Van Tendeloo, G;Garcia, H;Van Der Voort, P;
(2015) Au@UiO-66: a base free oxidation catalyst
In Rsc Advances;
DOI: 10.1039/c4ra16800c

2014

Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis
Velazquez, HD;Garcia, YR;Vandichel, M;Madder, A;Verpoort, F;
(2014) Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis
In Organic &Amp; Biomolecular Chemistry;
DOI: 10.1039/c4ob01350f

2014

Vanadium metal-organic frameworks: structures and applications
Van der Voort, P;Leus, K;Liu, YY;Vandichel, M;Van Speybroeck, V;Waroquier, M;Biswas, S;
(2014) Vanadium metal-organic frameworks: structures and applications
In New Journal Of Chemistry;
DOI: 10.1039/c3nj01130e

2014

Catalytic Performance of Vanadium MIL-47 and Linker-Substituted Variants in the Oxidation of Cyclohexene: A Combined Theoretical and Experimental Approach
Vandichel, M;Biswas, S;Leus, K;Paier, J;Sauer, J;Verstraelen, T;Van der Voort, P;Waroquier, M;Van Speybroeck, V;
(2014) Catalytic Performance of Vanadium MIL-47 and Linker-Substituted Variants in the Oxidation of Cyclohexene: A Combined Theoretical and Experimental Approach
In Chempluschem;
DOI: 10.1002/cplu.201402007

2014

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
Van Speybroeck, V;De Wispelaere, K;Van der Mynsbrugge, J;Vandichel, M;Hemelsoet, K;Waroquier, M;
(2014) First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
In Chemical Society Reviews;
DOI: 10.1039/c4cs00146j

2014

Metal-dioxidoterephthalate MOFs of the MOF-74 type: Microporous basic catalysts with well-defined active sites
Valvekens, P;Vandichel, M;Waroquier, M;Van Speybroeck, V;De Vos, D;
(2014) Metal-dioxidoterephthalate MOFs of the MOF-74 type: Microporous basic catalysts with well-defined active sites
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2014.06.006

2014

Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions
Valvekens, P;Jonckheere, D;De Baerdemaeker, T;Kubarev, AV;Vandichel, M;Hemelsoet, K;Waroquier, M;Van Speybroeck, V;Smolders, E;Depla, D;Roeffaers, MBJ;De Vos, D;
(2014) Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions
In Chemical Science;
DOI: 10.1039/c4sc01731e

2013

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
Ghysels, A;Vanduyfhuys, L;Vandichel, M;Waroquier, M;Van Speybroeck, V;Smit, B;
(2013) On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
In Journal Of Physical Chemistry C;
DOI: 10.1021/jp311601q

2013

Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal-Organic Frameworks: The Unique Case of UiO-66(Zr)
Vermoortele, F;Bueken, B;Le Bars, G;Van de Voorde, B;Vandichel, M;Houthoofd, K;Vimont, A;Daturi, M;Waroquier, M;Van Speybroeck, V;Kirschhock, C;De Vos, DE;
(2013) Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal-Organic Frameworks: The Unique Case of UiO-66(Zr)
In Journal of the American Chemical Society;
DOI: 10.1021/ja405078u

2013

New Functionalized Metal-Organic Frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): Synthesis, Characterization, and CO2 Adsorption Properties
Biswas, S;Vanpoucke, DEP;Verstraelen, T;Vandichel, M;Couck, S;Leus, K;Liu, YY;Waroquier, M;Van Speybroeck, V;Denayer, JFM;Van der Voort, P;
(2013) New Functionalized Metal-Organic Frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): Synthesis, Characterization, and CO2 Adsorption Properties
In Journal Of Physical Chemistry C;
DOI: 10.1021/jp406835n

2013

Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization
Vandichel, M;Vermoortele, F;Cottenie, S;De Vos, DE;Waroquier, M;Van Speybroeck, V;
(2013) Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2013.04.017

2013

New V-IV-Based Metal-Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity
Liu, YY;Couck, S;Vandichel, M;Grzywa, M;Leus, K;Biswas, S;Vollmer, D;Gascon, J;Kapteijn, F;Denayer, JFM;Waroquier, M;Van Speybroeck, V;Van der Voort, P;
(2013) New V-IV-Based Metal-Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity
In Inorganic Chemistry;
DOI: 10.1021/ic301338a

2012

Ab Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al)
Vanduyfhuys, L;Verstraelen, T;Vandichel, M;Waroquier, M;Van Speybroeck, V;
(2012) Ab Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al)
In Journal Of Chemical Theory And Computation;
DOI: 10.1021/ct300172m

2012

Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system
Ghysels, A;Vandichel, M;Verstraelen, T;van der Veen, MA;De Vos, DE;Waroquier, M;Van Speybroeck, V;
(2012) Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system
In Theoretical Chemistry Accounts;
DOI: 10.1007/s00214-012-1234-7

2012

The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene
Leus, K;Vandichel, M;Liu, YY;Muylaert, I;Musschoot, J;Pyl, S;Vrielinck, H;Callens, F;Marin, GB;Detavernier, C;Wiper, PV;Khimyak, YZ;Waroquier, M;Van Speybroeck, V;Van der Voort, P;
(2012) The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2011.09.014

2012

Mechanistic insight into the cyclohexene epoxidation with VO(acac)(2) and tert-butyl hydroperoxide
Vandichel, M;Leus, K;Van der Voort, P;Waroquier, M;Van Speybroeck, V;
(2012) Mechanistic insight into the cyclohexene epoxidation with VO(acac)(2) and tert-butyl hydroperoxide
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2012.06.002

2012

Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks
Vermoortele, F;Vandichel, M;Van de Voorde, B;Ameloot, R;Waroquier, M;Van Speybroeck, V;De Vos, DE;
(2012) Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks
In Angewandte Chemie-International Edition;
DOI: 10.1002/anie.201108565

2012

Synthesis, characterization and sorption properties of NH2-MIL-47
Leus, K;Couck, S;Vandichel, M;Vanhaelewyn, G;Liu, YY;Marin, GB;Van Driessche, I;Depla, D;Waroquier, M;Van Speybroeck, V;Denayer, JFM;Van Der Voort, P;
(2012) Synthesis, characterization and sorption properties of NH2-MIL-47
In Physical Chemistry Chemical Physics;
DOI: 10.1039/c2cp42137b

2012

Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5
Van der Mynsbrugge, J;Hemelsoet, K;Vandichel, M;Waroquier, M;Van Speybroeck, V;
(2012) Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5
In Journal Of Physical Chemistry C;
DOI: 10.1021/jp2123828

2011

Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5
Lesthaeghe, D;Van der Mynsbrugge, J;Vandichel, M;Waroquier, M;Van Speybroeck, V;
(2011) Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5
In Chemcatchem;
DOI: 10.1002/cctc.201000286

2011

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
Van Speybroeck, V;Van der Mynsbrugge, J;Vandichel, M;Hemelsoet, K;Lesthaeghe, D;Ghysels, A;Marin, GB;Waroquier, M;
(2011) First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
In Journal of the American Chemical Society;
DOI: 10.1021/ja1073992

2010

Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
Vandichel, M;Lesthaeghe, D;Van der Mynsbrugge, J;Waroquier, M;Van Speybroeck, V;
(2010) Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
In Journal Of Catalysis;
DOI: 10.1016/j.jcat.2010.02.001

2010

The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation
Leus, K;Muylaert, I;Vandichel, M;Marin, GB;Waroquier, M;Van Speybroeck, V;Van der Voort, P;
(2010) The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation
In Chemical Communications;
DOI: 10.1039/c0cc01506g

2009

The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study
Hemelsoet, K;Nollet, A;Vandichel, M;Lesthaeghe, D;Van Speybroeck, V;Waroquier, M;
(2009) The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study
In Chemcatchem;
DOI: 10.1002/cctc.200900208