Research Explorer

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Researcher

Jelle Vandenbussche

Awards & Distinctions

13 Results

2016

Absolute configuration of the antimalarial erythro-mefloquine : vibrational circular dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative

M KohoutJelle VandenbusscheA RollerJ TumaJ BogaertsPatrick BultinckW HerreboutW Lindner

A1 Journal Article in RSC ADVANCES

2013

Across chiral and achiral worlds : statistical validation in VCD and explorations in momentum space

Jelle VandenbusschePatrick BultinckWouter A Herrebout

Electron momentum spectroscopy of 1-butene : a theoretical analysis using molecular dynamics and molecular quantum similarity

SH Reza ShojaeiaJelle VandenbusscheMichael S DeleuzePatrick Bultinck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Performance of DFT methods in momentum space : quantum similarity measures versus moments of momentum

Jelle VandenbusscheGuillaume AckePatrick Bultinck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Statistical validation of absolute configuration assignment in vibrational optical activity

Jelle VandenbusschePatrick BultinckAnna K PrzybylWouter A Herrebout

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

2012

Chemical concepts in momentum space

Patrick BultinckJelle Vandenbussche

Momentum space quantum similarity measures versus moments of momentum

Jelle VandenbusschePatrick Bultinck

Performance of DFT methodologies using momentum space quantum similarity on diatomic molecules

Jelle VandenbusscheGuillaume AckePatrick Bultinck

Scramble test as absolute configuration assignment quality measure in VCD

Jelle VandenbusschePatrick Bultinck

VCD: assignment, comparison to other methods and localizing modes

Patrick BultinckEwoud De GussemJelle VandenbusscheWouter Herrebout

2011

Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds

Ferran FeixasJelle VandenbusschePatrick BultinckEduard MatitoMiquel Solà

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2010

(Is there) chemistry in momentum space

Patrick BultinckDieter GhillemijnJelle VandenbusscheDimitri Van NeckRamon Carbo-Dorca Carre

Quantum similarity of isosteres coordinate versus momentum space and influence of alignment

Ricardo Vivas-ReyesAndersson AriasJelle VandenbusscheChristian Van AlsenoyPatrick Bultinck

A1 Journal Article in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM