Ghent University Academic Bibliography

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A reactive molecular dynamics study of chlorinated organic compounds : part II : a ChemTraYzer study of chlorinated dibenzofuran formation and decomposition processes

Lukas Krep, Felix Schmalz, Florian Solbach, Leonid Maximowitsch Komissarov, Thomas Nevolianis, Wassja A. Kopp, Toon Verstraelen (UGent) and Kai Leonhard

(2023) CHEMPHYSCHEM. 24(7).
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Classical force field parameters for InP and InAs quantum dots with various surface passivations

Kim Corinna Dümbgen (UGent) , Roberta Pascazio, Bas van Beek, Zeger Hens (UGent) and Ivan Infante

(2023) JOURNAL OF PHYSICAL CHEMISTRY A. 127(15). p.3427-3436
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Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

Ashley M. Stingel, Jari Leemans, Zeger Hens (UGent) , Pieter Geiregat (UGent) and Poul B. Petersen

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(11).
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Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Xeno De Vriendt (UGent) , John De Vos (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2023) MOLECULAR PHYSICS. 121(9-10).
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A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Pieter Schiettecatte (UGent) , Zeger Hens (UGent) and Pieter Geiregat (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(1).
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Controlled wiring of disclination lines between patterned photoalignment layers in nematic liquid crystal

Inge Nys (UGent) , Brecht Berteloot and Kristiaan Neyts (UGent)

(2023) JOURNAL OF MOLECULAR LIQUIDS. 386.
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Highly dispersive liquid crystal diffraction gratings with continuously varying periodicity

Inge Nys (UGent) , Peter Ropac, Brecht Berteloot, Miha Ravnik and Kristiaan Neyts (UGent)

(2023) JOURNAL OF MOLECULAR LIQUIDS. 383.
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Sensitivity analysis for ReaxFF reparametrization using the Hilbert-Schmidt independence criterion

Michael Freitas Gustavo, Matti Hellström and Toon Verstraelen (UGent)

(2023) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 19(9). p.2557-2573
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A molecular understanding of citrate adsorption on calcium oxalate polyhydrates

Yangyang Su, Jelle Vekeman (UGent) , Flavio Siro Brigiano, Etienne Paul Hessou, Yuheng Zhao, Diane Sorgeloos, Marc Raes, Tom Hauffman, Kehzi Li and Frederik Tielens

(2023) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 25(17). p.12148-12156
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Development of accurate potentials for the physisorption of water on graphene

Jelle Vekeman (UGent) , Inmaculada García Cuesta, Noelia Faginas-Lago, José Sánchez-Marín and Alfredo M. J. Sánchez de Merás

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(2).

Academic Bibliography

A reactive molecular dynamics study of chlorinated organic compounds : part II : a ChemTraYzer study of chlorinated dibenzofuran formation and decomposition processes

Classical force field parameters for InP and InAs quantum dots with various surface passivations

Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Controlled wiring of disclination lines between patterned photoalignment layers in nematic liquid crystal

Highly dispersive liquid crystal diffraction gratings with continuously varying periodicity

Sensitivity analysis for ReaxFF reparametrization using the Hilbert-Schmidt independence criterion

A molecular understanding of citrate adsorption on calcium oxalate polyhydrates

Development of accurate potentials for the physisorption of water on graphene

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