Ghent University Academic Bibliography

Mark

Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure

Kevin Hendrickx (UGent) , Jonas Joos (UGent) , Arthur De Vos (UGent) , Dirk Poelman (UGent) , Philippe Smet (UGent) , Veronique Van Speybroeck (UGent) , Pascal Van Der Voort (UGent) and Kurt Lejaeghere (UGent)

(2018) INORGANIC CHEMISTRY. 57(9). p.5463-5474

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journalArticle
A1
open access

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

Julianna Hajek (UGent) , Chiara Caratelli (UGent) , Ruben Demuynck (UGent) , Kristof De Wispelaere (UGent) , Louis Vanduyfhuys (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2018) CHEMICAL SCIENCE. 9(10). p.2723-2732

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journalArticle
A1
open access

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

Chiara Caratelli (UGent) , Julianna Hajek (UGent) , Sven Rogge (UGent) , Steven Vandenbrande (UGent) , Evert Jan Meijer, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2018) CHEMPHYSCHEM. 19(4). p.420-429

Mark

The importance of cell shape sampling to accurately predict flexibility in metal-organic frameworks

Sven Rogge (UGent) , Senne Caroes (UGent) , Ruben Demuynck (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and An Ghysels (UGent)

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(3). p.1186-1197

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journalArticle
A1
open access

Elucidating the vibrational fingerprint of the flexible metal-organic framework MIL-53(Al) using a combined experimental/computational approach

Alexander Hoffman (UGent) , Louis Vanduyfhuys (UGent) , Irena Nevjestic (UGent) , Jelle Wieme (UGent) , Sven Rogge (UGent) , Hannes Depauw (UGent) , Pascal Van Der Voort (UGent) , Henk Vrielinck (UGent) and Veronique Van Speybroeck (UGent)

(2018) JOURNAL OF PHYSICAL CHEMISTRY C. 122(5). p.2734-2746

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journalArticle
A1
open access

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks

Louis Vanduyfhuys (UGent) , Steven Vandenbrande (UGent) , Jelle Wieme (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2018) JOURNAL OF COMPUTATIONAL CHEMISTRY. 39(16). p.999-1011

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conference
C3
open access

Non-covalent force field expressed in terms of spherical density functions

Toon Verstraelen (UGent) , Steven Vandenbrande (UGent) , Farnaz Heidar-Zadeh, Louis Vanduyfhuys (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and Paul Ayers

(2018) ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 255.

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journalArticle
A1
open access

Design of a thermally controlled sequence of triazolinedione-based click and transclick reactions

Hannes Houck (UGent) , Kevin De Bruycker (UGent) , Stijn Billiet (UGent) , Bastiaan Dhanis (UGent) , Hannelore Goossens (UGent) , Saron Catak (UGent) , Veronique Van Speybroeck (UGent) , Johan Winne (UGent) and Filip Du Prez (UGent)

(2017) CHEMICAL SCIENCE. 8(4). p.3098-3108

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journalArticle
A1
open access

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

Julianna Hajek (UGent) , Bart Bueken, Michel Waroquier (UGent) , Dirk De Vos and Veronique Van Speybroeck (UGent)

(2017) CHEMCATCHEM. 9(12). p.2203-2210

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conference
C3
open access

Defect engineering of UiO-66 using 4-sulfobenzoic acid

Xiao Feng (UGent) , Kevin Hendrickx (UGent) , Guangbo Wang (UGent) , Karen Leus (UGent) , Veronique Van Speybroeck (UGent) and Pascal Van Der Voort (UGent)

(2017) Netherlands' Catalysis and Chemistry Conference, 18th, Abstracts.

Academic Bibliography

Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure

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

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

The importance of cell shape sampling to accurately predict flexibility in metal-organic frameworks

Elucidating the vibrational fingerprint of the flexible metal-organic framework MIL-53(Al) using a combined experimental/computational approach

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks

Non-covalent force field expressed in terms of spherical density functions

Design of a thermally controlled sequence of triazolinedione-based click and transclick reactions

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

Defect engineering of UiO-66 using 4-sulfobenzoic acid

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