Ghent University Academic Bibliography

A comprehensive model for the role of water and silanols in the amine catalyzed aldol reaction

Anton De Vylder, Jeroen Lauwaert (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , Jeriffa De Clercq (UGent) , Pascal Van Der Voort (UGent) and Joris Thybaut (UGent)

(2021) CHEMICAL ENGINEERING JOURNAL. 404.

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Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species

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

(2021) INTERNATIONAL JOURNAL OF CHEMICAL KINETICS. 53(3). p.345-355

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Journal Article
A1
open access

Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3

Syed Muhammad Alay-e-Abbas, Safdar Nazir, Stefaan Cottenier (UGent) and Ali Shaukat

(2017) SCIENTIFIC REPORTS. 7(1).

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Journal Article
A1
open access

Substituent effects on absorption spectra of pH indicators: an experimental and computational study of sulfonphthaleine dyes

Thierry De Meyer (UGent) , Karen Hemelsoet (UGent) , Veronique Van Speybroeck (UGent) and Karen De Clerck (UGent)

(2014) DYES AND PIGMENTS. 102. p.241-250

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Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Andy Van Yperen-De Deyne (UGent) , Thierry De Meyer (UGent) , Ewald Pauwels (UGent) , An Ghysels (UGent) , Karen De Clerck (UGent) , Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and Karen Hemelsoet (UGent)

(2014) JOURNAL OF CHEMICAL PHYSICS. 140(13).

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Assessing the accuracy of new geminal-based approaches

Paweł Tecmer, Katharina Boguslawski, Paul Johnson (UGent) , Peter A Limacher, Matthew Chan, Toon Verstraelen (UGent) and Paul W Ayers

(2014) JOURNAL OF PHYSICAL CHEMISTRY A. 118(39). p.9058-9068

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Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe

Alexander Bakaev (UGent) , A Terentyev, X He and Dimitri Van Neck (UGent)

(2014) JOURNAL OF NUCLEAR MATERIALS. 455(1-3). p.5-9

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Many-body central force potentials for tungsten

Giovanni Bonny, D Terentyev, Alexander Bakaev (UGent) , Petr Grigorev (UGent) and Dimitri Van Neck (UGent)

(2014) MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING. 22(5).

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Journal Article
A1
open access

Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence

Danny Vanpoucke (UGent) , Stefaan Cottenier (UGent) , Veronique Van Speybroeck (UGent) , Isabel Van Driessche (UGent) and Patrick Bultinck (UGent)

(2014) JOURNAL OF THE AMERICAN CERAMIC SOCIETY. 97(1). p.258-266

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Epihalohydrins in organic synthesis

Girija S Singh, Karen Mollet (UGent) , Matthias D'hooghe (UGent) and Norbert De Kimpe (UGent)

(2013) CHEMICAL REVIEWS. 113(3). p.1441-1498

Academic Bibliography

A comprehensive model for the role of water and silanols in the amine catalyzed aldol reaction

Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species

Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3

Substituent effects on absorption spectra of pH indicators: an experimental and computational study of sulfonphthaleine dyes

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Assessing the accuracy of new geminal-based approaches

Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe

Many-body central force potentials for tungsten

Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence

Epihalohydrins in organic synthesis

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