Ghent University Academic Bibliography

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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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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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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 (UGent) , 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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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
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Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism

Tom Vermeyen (UGent) , Jure Brence, Robin Van Echelpoel, Roy Aerts, Guillaume Acke (UGent) , Patrick Bultinck (UGent) and Wouter Herrebout

(2021) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 23(35). p.19781-19789
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The electronic structure of carbones revealed : insights from valence bond theory

Remco Havenith (UGent) , Ana V. Cunha, Johannes E. M. N. Klein, Francesca Perolari and Xintao Feng

(2021) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 23(5). p.3327-3334

Academic Bibliography

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

A molecular understanding of citrate adsorption on calcium oxalate polyhydrates

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

Pushing the boundaries of VCD spectroscopy in natural product chemistry

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

Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism

The electronic structure of carbones revealed : insights from valence bond theory

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