Ghent University Academic Bibliography

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Navigating in the chemical space of peptides : computational strategies and molecular features to unveil their functional and drug-like properties

Ewerton Cristhian Lima de Oliveira, Juliana Auzier Seixas Feio, Gabriel Pereira Coelho, Lidiane Diniz Do Nascimento, Anderson Henrique Lima, Caio Marcos Flexa Rodrigues, Anton De Spiegeleer (UGent) , Evelien Wynendaele (UGent) , Claudomiro Sales, Bart De Spiegeleer (UGent) , et al.

(2026) PHYSICAL CHEMISTRY CHEMICAL PHYSICS.
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UV-A scintillation and persistent luminescence from Ce- and Ce/Ho-doped YPO4 nanoparticles

Paul Ganigal, David Van der Heggen (UGent) , Philippe Smet (UGent) , Christophe Dujardin, Mathilde Ménard, Christophe Dorandeu, Jean-Olivier Durand and Aurélie Bessière

(2025) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 27(46). p.25098-25109
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Theoretical investigation of nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines in gas and polar aprotic solvent

Keshab K. Adhikary (UGent) , Francis Verpoort and Philippe Heynderickx (UGent)

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(4). p.3168-3183
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Cyclopentene ring effects in cyanine dyes : a handle to fine-tune photophysical properties

Natalia P. Neme, Thomas L. C. Jansen and Remco Havenith (UGent)

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(7). p.6235-6241
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Modeling the kinetics of hydrogen abstraction reactions in nitrogen-containing compounds via group additivity

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

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(27). p.18763-18775
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Modeling the thermochemistry of nitrogen-containing compounds via group additivity

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

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(27). p.19021-19034
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The electrophilic aromatic bromination of benzenes : mechanistic and regioselective insights from density functional theory

Xavier Deraet, Eline Desmedt, Ruben Van Lommel, Veronique Van Speybroeck (UGent) and Frank De Proft (UGent)

(2023) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 25(42). p.28581-28594
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Pushing the boundaries of VCD spectroscopy in natural product chemistry

Tom Vermeyen, Andrea N. L. Batista, Alessandra L. Valverde, Wouter Herrebout and João M. Batista Jr

(2023) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 25(20). p.13825-13832
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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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Recent advances in copper chalcogenides for CO<sub>2</sub> electroreduction

Wenjian Hu, Didier Grandjean, Jan Vaes (UGent) , Deepak Pant and Ewald Janssens

(2023) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 25(45). p.30785-30799

Academic Bibliography

Navigating in the chemical space of peptides : computational strategies and molecular features to unveil their functional and drug-like properties

UV-A scintillation and persistent luminescence from Ce- and Ce/Ho-doped YPO4 nanoparticles

Theoretical investigation of nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines in gas and polar aprotic solvent

Cyclopentene ring effects in cyanine dyes : a handle to fine-tune photophysical properties

Modeling the kinetics of hydrogen abstraction reactions in nitrogen-containing compounds via group additivity

Modeling the thermochemistry of nitrogen-containing compounds via group additivity

The electrophilic aromatic bromination of benzenes : mechanistic and regioselective insights from density functional theory

Pushing the boundaries of VCD spectroscopy in natural product chemistry

A molecular understanding of citrate adsorption on calcium oxalate polyhydrates

Recent advances in copper chalcogenides for CO<sub>2</sub> electroreduction

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