Academic Bibliography

Mark

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

Mark

journalArticle
A1
open access

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

Mark

Sensing the framework state and guest molecules in MIL-53(Al) via the electron paramagnetic resonance spectrum of V-IV dopant ions

Irena Nevjestic (UGent) , Hannes Depauw (UGent) , Peter Gast, Pieter Tack (UGent) , Davy Deduytsche (UGent) , Karen Leus (UGent) , Melissa Van Landeghem, Etienne Goovaerts, Laszlo Vincze (UGent) , Christophe Detavernier (UGent) , et al.

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(36). p.24545-24554

Mark

journalArticle
A1
open access

Acceleration of diffusion in ethylammonium nitrate ionic liquid confined between parallel glass plates

Andrei Filippov, Oleg I. Gnezdilov, Nicklas Hjalmarsson, Oleg N. Antzutkin, Sergei Glavatskih (UGent) , István Furó and Mark W. Rutland

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(38). p.25853-25858

Mark

journalArticle
A1
open access

Charge transfer induced energy storage in CaZnOS:Mn : insight from experimental and computational spectroscopy

Jonas Joos (UGent) , Kurt Lejaeghere (UGent) , Katleen Korthout (UGent) , Ang Feng (UGent) , Dirk Poelman (UGent) and Philippe Smet (UGent)

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(13). p.9075-9085

Mark

Going beyond the three-state ensemble model : the electronic chemical potential and Fukui function for the general case

Marco Franco-Pérez, Farnaz Heidar Zadeh (UGent) , Paul W Ayers, José L Gázquez and Alberto Vela

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(18). p.11588-11602

Mark

Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism

Guglielmo Monaco, Francesco Aquino, Riccardo Zanasi, Wouter Herrebout, Patrick Bultinck (UGent) and Antonio Massa

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(41). p.28028-28036

Mark

journalArticle
A1
open access

Nucleation and growth of lead oxide particles in liquid lead-bismuth eutectic

Kristof Gladinez (UGent) , Kris Rosseel, Jun Lim, Alessandro Marino, Geraldine Heynderickx (UGent) and Alexander Aerts

(2017) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 19(40). p.27593-27602

Mark

Exploring the role of the 3-center-4-electron bond in hypervalent λ³-iodanes using the methodology of domain averaged Fermi holes

Halua Pinto de Magalhães, Hans Peter Lüthi and Patrick Bultinck (UGent)

(2016) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18(2). p.846-856

Mark

Fourth stable radical species in X-irradiated solid-state sucrose

Jevgenij Kusakovskij (UGent) , Ignacio Caretti, Sabine Van Doorslaer, Freddy Callens (UGent) and Henk Vrielinck (UGent)

(2016) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18(16). p.10983-10991

Academic Bibliography

Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions

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

Sensing the framework state and guest molecules in MIL-53(Al) via the electron paramagnetic resonance spectrum of V-IV dopant ions

Acceleration of diffusion in ethylammonium nitrate ionic liquid confined between parallel glass plates

Charge transfer induced energy storage in CaZnOS:Mn : insight from experimental and computational spectroscopy

Going beyond the three-state ensemble model : the electronic chemical potential and Fukui function for the general case

Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism

Nucleation and growth of lead oxide particles in liquid lead-bismuth eutectic

Exploring the role of the 3-center-4-electron bond in hypervalent λ³-iodanes using the methodology of domain averaged Fermi holes

Fourth stable radical species in X-irradiated solid-state sucrose

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