Ghent University Academic Bibliography

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Your filters: cql: keyword exact "canonical ensemble" cql: author exact 002005240984 or (type exact bookEditor and editor exact 002005240984)

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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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Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion

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

(2016) CHEMISTRY OF MATERIALS. 28(16). p.5721-5732
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Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations

Jelle Wieme (UGent) , Louis Vanduyfhuys (UGent) , Sven Rogge (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2016) JOURNAL OF PHYSICAL CHEMISTRY C. 120(27). p.14934-14947
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A comparison of barostats for the mechanical characterization of metal-organic frameworks

Sven Rogge (UGent) , Louis Vanduyfhuys (UGent) , An Ghysels (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) , G Maurin and Veronique Van Speybroeck (UGent)

(2015) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 11(12). p.5583-5597

Academic Bibliography

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

Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion

Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations

A comparison of barostats for the mechanical characterization of metal-organic frameworks

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