Ghent University Academic Bibliography

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The mechanism of catalase loading into porous vaterite CaCO3 crystals by co-synthesis

AS Vikulina, NA Feoktistova, NG Balabushevich, Andre Skirtach (UGent) and D Volodkin

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(13). p.8822-8831
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Surface species during ALD of platinum observed with in situ reflection IR spectroscopy

Michiel Van Daele (UGent) , Christophe Detavernier (UGent) and Jolien Dendooven (UGent)

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(39). p.25343-25356
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Ab initio evaluation of Henry coefficients using importance sampling

Steven Vandenbrande (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and Toon Verstraelen (UGent)

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(12). p.6359-6369
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Predicting the afterglow duration in persistent phosphors : a validated approach to derive trap depth distributions

Olivier De Clercq (UGent) , Jiaren Du (UGent) , Philippe Smet (UGent) , Jonas Joos (UGent) and Dirk Poelman (UGent)

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(48). p.30455-30465
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Protocol for identifying accurate collective variables in enhanced molecular dynamics simulations for the description of structural transformations in flexible metal-organic frameworks

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

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(11). p.5511-5526
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Diffusion of gas mixtures in the sI hydrate structure

Magnus H. Waage, Thuat T. Trinh and Titus van Erp (UGent)

(2018) JOURNAL OF CHEMICAL PHYSICS. 148(21).
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Multiscale partial charge estimation on graphene for neutral, doped and charged flakes

Anastasiia Maslechko, Toon Verstraelen (UGent) , Titus van Erp (UGent) and Enrico Riccardi

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(31). p.20678-20687
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Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions

Ruben Van de Vijver (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , Kevin Van Geem (UGent) and Guy Marin (UGent)

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(16). p.10877-10894
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T3NS : three-legged tree tensor network states

Klaas Gunst (UGent) , Frank Verstraete (UGent) , Sebastian Wouters, Örs Legeza and Dimitri Van Neck (UGent)

(2018) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 14(4). p.2026-2033
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Rheology of phosphonium ionic liquids: a molecular dynamics and experimental study

Sten Sarman, Yong-Lei Wang, Patrick Rohlmann, Sergei Glavatskih (UGent) and Aatto Laaksonen

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(15). p.10193-10203

Academic Bibliography

The mechanism of catalase loading into porous vaterite CaCO3 crystals by co-synthesis

Surface species during ALD of platinum observed with in situ reflection IR spectroscopy

Ab initio evaluation of Henry coefficients using importance sampling

Predicting the afterglow duration in persistent phosphors : a validated approach to derive trap depth distributions

Protocol for identifying accurate collective variables in enhanced molecular dynamics simulations for the description of structural transformations in flexible metal-organic frameworks

Diffusion of gas mixtures in the sI hydrate structure

Multiscale partial charge estimation on graphene for neutral, doped and charged flakes

Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions

T3NS : three-legged tree tensor network states

Rheology of phosphonium ionic liquids: a molecular dynamics and experimental study

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