DEFNET H20ITN2015000201

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H20ITN2015000201

Promotor(s)

V. Van Speybroeck, T. Verstraelen

Description

http://www.defnet-etn.eu/

Attachments (ZAP restricted field)

Richtlijnen_H2020.pdf

FIN_DEFNET.pdf

2015_DEFNET_SAP.PDF

2016-CC-ITSP.pdf

Project funding (ZAP restricted)

Promotore(n): V. Van Speybroeck, T. Verstraelen

Financierende instantie: EC - FP7

Data: 01/01/2015 to 31/12/2018

Bedrag: €250.560,00

Personeel: C. Caratelli

Title: DEFNET

Project publications (A1)

G. Shchygol, A. Yakovlev, T. Trnka, A.C.T. van Duin, T. Verstraelen

ReaxFF Parameter Optimization with Monte-Carlo and Evolutionary Algorithms: Guidelines and Insights

Journal of Chemical Theory and Computation 15, 12, 6799-6812 (2019)

10.1021/acs.jctc.9b00769

C. Caratelli, J. Hajek, E.J. Meijer, M. Waroquier, V. Van Speybroeck

Dynamic interplay between defective UiO-66 and protic solvents in activated processes

Chemistry - A European Journal 25 (67), 15315-15325 (2019)

http://dx.doi.org/10.1002/chem.201903178

J. Marreiros, C. Caratelli, J. Hajek, A. Krajnc, G. Fleury, B. Bueken, D. De Vos, G. Mali, M. Roeffaers, V. Van Speybroeck, R. Ameloot

Active Role of Methanol in Post-Synthetic Linker Exchange in the Metal-Organic Framework UiO-66

Chemistry of Materials 31 (4), 1359-1369 (2019)

http://dx.doi.org/10.1021/acs.chemmater.8b04734

J. Hajek, C. Caratelli, R. Demuynck, K. De Wispelaere, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck

On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework

Chemical Science 9 (10), 2723-2732 (2018)

http://dx.doi.org/10.1039/C7SC04947A

C. Caratelli, J. Hajek, S.M.J. Rogge, S. Vandenbrande, E.J. Meijer, M. Waroquier, V. Van Speybroeck

Influence of a confined methanol solvent on the reactivity of active sites in UiO-66

ChemPhysChem 19 (4), 420-429 (2018)

http://dx.doi.org/10.1002/cphc.201701109

C. Caratelli, J. Hajek, F. G. Cirujano, M. Waroquier, F. X. Llabres i Xamena, V. Van Speybroeck

Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification

Journal of Catalysis 352, 401-414 (2017)

http://dx.doi.org/10.1016/j.jcat.2017.06.014

S.M.J. Rogge, A. Bavykina, J. Hajek, H. Garcia, A.I. Olivos-Suarez, A. Sepúlveda-Escribano, A. Vimont, G. Clet, P. Bazin, F. Kapteijn, M. Daturi, E.V. Ramos-Fernandez, F.X. Llabres i Xamena, V. Van Speybroeck, J. Gascon

Metal-organic and covalent organic frameworks as single-site catalysts

Chemical Society Reviews 46 (11), 3134-3184 (2017)

http://dx.doi.org/10.1039/C7CS00033B

J. Hajek, B. Bueken, M. Waroquier, D. De Vos, V. Van Speybroeck

The remarkable amphoteric nature of defective UiO-66 in catalytic reactions

ChemCatChem 9 (12), 2203-2210 (2017)

http://dx.doi.org/10.1002/cctc.201601689

A. De Vos, K. Hendrickx, P. Van der Voort, V. Van Speybroeck, K. Lejaeghere

Missing linkers: an alternative pathway to UiO-66 electronic structure engineering

Chemistry of Materials 29 (7), 3006–3019 (2017)

http://dx.doi.org/10.1021/acs.chemmater.6b05444

S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, S. Vandenbrande, G. Maurin, T. Verstraelen, M. Waroquier, V. Van Speybroeck

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion

Chemistry of Materials 28 (16), 5721-5732 (2016)

http://dx.doi.org/10.1021/acs.chemmater.6b01956

Project related conferences, workshops, meetings & stays

docMOF 2018

Sun, 29/04/2018 to Wed, 02/05/2018

Participants: C. Caratelli, S.M.J. Rogge

Defnet School - 2

Mon, 18/09/2017 to Thu, 21/09/2017

Participants: C. Caratelli

Defnet workshop 6 -

Mon, 19/06/2017 to Wed, 21/06/2017

Participants: C. Caratelli

NCCC XVIII

Mon, 06/03/2017 to Wed, 08/03/2017

Participants: C. Caratelli

Meeting DEFNET & lecture

Thu, 19/01/2017 to Fri, 20/01/2017

Participants: V. Van Speybroeck, C. Caratelli, J. Hajek

MOLSIM

Mon, 09/01/2017 to Fri, 20/01/2017

Participants: C. Caratelli

Visit to SCM Amsterdam

Tue, 29/11/2016 to Thu, 01/12/2016

Participants: T. Verstraelen

Defnet Mid Term Meeting

Thu, 10/11/2016

Participants: C. Caratelli

DEFNET mid term meeting

Wed, 09/11/2016 to Thu, 10/11/2016

Participants: V. Van Speybroeck, T. Verstraelen, C. Caratelli

Defnet Workshop 4

Mon, 07/11/2016 to Wed, 09/11/2016

Participants: C. Caratelli

VASP training school

Wed, 31/08/2016 to Sat, 03/09/2016

Participants: P. Cnudde, K. Lejaeghere, C. Caratelli, S. Bailleul, A. De Vos, J. Hajek

Defnet School 1

Tue, 21/06/2016 to Fri, 24/06/2016

Participants: C. Caratelli

Defnet Workshop 3

Tue, 22/03/2016 to Thu, 24/03/2016

Participants: C. Caratelli

NCCC XVII

Mon, 07/03/2016 to Wed, 09/03/2016

Participants: K. De Wispelaere, S. Bailleul, J. Hajek, Y. Pauwels, C. Caratelli

DEFNET Workshop 1&2

Tue, 01/12/2015 to Fri, 04/12/2015

Participants: C. Caratelli

DEFNET kick-off meeting

Thu, 12/02/2015 to Fri, 13/02/2015

Participants: V. Van Speybroeck, T. Verstraelen

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DEFNET H20ITN2015000201

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Project related conferences, workshops, meetings & stays

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DEFNET H20ITN2015000201

Primary tabs

Content

New SAP ref.

Promotor(s)

Description

Attachments (ZAP restricted field)

Project funding (ZAP restricted)

Project publications (A1)

Project related conferences, workshops, meetings & stays

Project related events

Postscript First

Postscript Second

Postscript Third

Preface First

Preface Second

Preface Third