Ghent University Academic Bibliography

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Your filters: cql: keyword exact "induced structural transitions" cql: author exact 000090139975 or (type exact bookEditor and editor exact 000090139975)

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

Sven Rogge (UGent) , Senne Caroes (UGent) , Ruben Demuynck, 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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Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations

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

(2017) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 13(12). p.5861-5873
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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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Semi-analytical mean-field model for predicting breathing in metal–organic frameworks

Louis Vanduyfhuys (UGent) , An Ghysels (UGent) , Sven Rogge (UGent) , Ruben Demuynck and Veronique Van Speybroeck (UGent)

(2015) MOLECULAR SIMULATION. 41(16-17). p.1311-1328

Academic Bibliography

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

Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations

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

Semi-analytical mean-field model for predicting breathing in metal–organic frameworks

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