Research Explorer

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Researcher

Tom Kuppens

Awards & Distinctions

16 Results

2007

A DFT conformational analysis and VCD study on methyl tetrahydrofuran-2-carboxylate

Tom KuppensKoen VandyckJohan Van der EyckenW HERREBOUTBert Van der VekenPatrick Bultinck

A1 Journal Article in SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

2006

Determination of the absolute configuration of three as-hydrindacene

Tom KuppensKoen VandyckWouter HerreboutPatrick Bultinck

Development of methodology to assign absolute configurations using vibrational circular dichroism

Tom KuppensPatrick BultinckW Herrebout

Elucidation of the absolute configuration of JNJ-27553292, a CCR2 receptor antagonist, by vibrational circular dichroism analysis of two precursors

Tom KuppensW HERREBOUTBert Van der VekenD CORENSA DE GROOTJ DOYONG VAN LOMMENPatrick Bultinck

A1 Journal Article in CHIRALITY

Intermolecular association of tetrahydrofuran-2-carboxylic acid in solution : a vibrational circular dichroism study

Tom KuppensW HERREBOUTBert Van der VekenPatrick Bultinck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Structure Elucidation of Polychloroterpenes Obtained from Optically Active Pinenes by VCD: Structure Elucidation of Polychloroterpenes Obtained from Optically Active Pinenes: 2-endo, 5,5,8,8,9,9,10,10,10-decachlorofenchane by NMR and (1R,3S,4S,5S,6S,7R)- 2,2,3-exo,5-endo,6-exo,8,9,910,10-decachlorobornane by VCD

FA KrutchkovTom KuppensE KolehmainenVA Nikiforov

A4 Journal Article in ORGANOHALOGEN COMPOUNDS

Vibrational circular dichroism DFT study on bicyclo[3.3.0]octane derivatives

Elke DebieTom KuppensKoen VandyckJohan Van der EyckenBert Van der VekenW HERREBOUTPatrick Bultinck

A1 Journal Article in TETRAHEDRON-ASYMMETRY

2005

A selected ion flow tube study of the reactions of H3O+, NO+ and O-2(center dot+) with some oxygenated biogenic volatile organic compounds

C AMELYNCKN SCHOONTom KuppensPatrick BultinckE ARIJS

A1 Journal Article in INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism

Tom KuppensKoen VandyckJohan Van der EyckenW HERREBOUTBJ VAN DER VEKENPatrick Bultinck

A1 Journal Article in JOURNAL OF ORGANIC CHEMISTRY

Quantum chemical applications in a distributed computing environment

Patrick BultinckTom Kuppens

2004

Determination of absolute configuration via vibrational circular dichroism

Tom KuppensPatrick BultinckWilfried Langenaeker

A2 Journal Article in DRUG DISCOVERY TODAY. TECHNOLOGIES

Vibrationeel circulair dichroïsme als methode voor het bepalen van de absolute configuratie van chirale moleculen

Tom KuppensPatrick Bultinck

2003

Determination of the stereochemistry of 3-hydroxymethyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine by vibrational circular dichroism and the effect of DFT integration grids

Tom KuppensW LANGENAEKERJP TOLLENAEREPatrick Bultinck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Pruning the conformational dependence in the determination of the absolute configuration and the proposal of an algorithm to assign the absolute configuration

Patrick BultinckTom Kuppens

Quantum similarity superposition algorithm (QSSA) : a consistent scheme for molecular alignment and molecular similarity based on quantum chemistry

Patrick BultinckTom KuppensX GIRONERamon Carbo-Dorca Carre

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES

VIBRATIONAL CIRCULAR DICHROISM AS A TOOL FOR THE DETERMINATION OF THE STEREOCHEMISTRY AND THE EFFECT OF DFT INTEGRATION GRIDS

Patrick BultinckWilfried LangenaekerTom Kuppens