Hannelore Goossens

A1 Publications

Published

2018

Formation of Fluorinated Amido Esters through Unexpected C3-C4 Bond Fission in 4-Trifluoromethyl-3-oxo-β-lactams , H.D. Thi, H. Goossens, D. Hertsen, V. Otte, T. Van Nguyen, V. Van Speybroeck, M. D'Hooghe , Chemistry - An Asian Journal , 13 (4), 421-431 , 2018 , IF: 4.083 , 40/166 [Q1]

2017

Reactivity of 3-oxo-β-lactams with respect to primary amines - an experimental and computational approach , N. Piens, H. Goossens, D. Hertsen, S. Deketelaere, L. Crul, L. Demeurisse, J. De Moor, E. Van den Broeck, K. Mollet, K. Van Hecke, V. Van Speybroeck, M. D'Hooghe , Chemistry - A European Journal , 2017 (23), 1-9 , 2017 , IF: 5.317 , 29/166 [Q1]
Design of a thermally controlled sequence of triazolinedione-based click and transclick reactions , H.A. Houck, K. De Bruycker, S. Billiet, B. Dhanis, H. Goossens, S. Catak, V. Van Speybroeck, J.M. Winne, F. Du Prez , Chemical Science , 8 (4), 3098-3108 , 2017 , IF: 8.668 , 17/166 [Q1]

2016

Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: A computational approach , T. Furuncuoğlu, B. Kura, S. Catak, H. Goossens, V. Van Speybroeck, M. Waroquier, V. Aviyente , European Polymer Journal , 83, 67–76 , 2016 , IF: 3.485 , 13/85 [Q1]

2015

Beyond the diketopiperazine family with alternatively bridged brevianamide F analogues , I. Wauters, H. Goossens, E. Delbeke, K. Muylaert, B.I. Roman, K. Van Hecke, V. Van Speybroeck, C.V. Stevens , Chemistry - A European Journal , 80 (16), 8046-8054 , 2015 , IF: 5.771 , 24/163 [Q1]
Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1 , H. Goossens, T.S.A Heugebaert, B. Dereli, M. Van Overtveldt, O. Karahan, I. Doğan, M. Waroquier, V. Van Speybroeck, V. Aviyente, S. Catak, C.V. Stevens , European Journal of Organic Chemistry , 2015 (6), 1211–1217 , 2015 , IF: 3.068 , 17/59 [Q2]
On the Possibility of [1,5] Sigmatropic Shifts in Bicyclo[4.2.0]octa-2,4-dienes , H. Goossens, J.M. Winne, S. Wouters, L. Hermosilla, P. J. De Clercq, M. Waroquier, V. Van Speybroeck, S. Catak , Journal of Organic Chemistry , 80 (5) 2609-2620 , 2015 , IF: 4.785 , 7/59 [Q1]
Accelerated living cationic ring-opening polymerization of a methyl ester functionalized 2-oxazoline monomer , P.J.M. Bouten, D. Hertsen, M. Vergaelen, B. Monnery, M.A. Boerman, H. Goossens, S. Catak, J.C.M. van Hest, V. Van Speybroeck, R. Hoogenboom , Polymer Chemistry , 6, 514-518 , 2015 , IF: 5.687 , 4/85 [Q1]

2014

Triazolinediones enabling ultrafast and reversible click chemistry for facile design of healable and reshapable polymers , S. Billiet, K. De Bruycker, F. Driessen, H. Goossens, V. Van Speybroeck, J. Winne, F. Du Prez , Nature Chemistry , 6 (9), 815-821 , 2014 , IF: 25.325 , 3/157 [Q1]
Nucleophile-Dependent Regio- and Stereoselective Ring Opening of 1-Azoniabicyclo-[3.1.0]hexane Tosylate , Mi-Kyung Ji, D. Hertsen, D.-H. Yoon, H. Eum, H. Goossens, M. Waroquier, V. Van Speybroeck, M. D'Hooghe, N. De Kimpe, H.-J. Ha , Chemistry - An Asian Journal , 2014 (9), 1060-1067 , 2014 , IF: 4.587 , 26/157 [Q1]

2013

Cationic ring-opening polymerization of 2-propyl-2-oxazolines: Understanding structural effects on polymerization behavior based on molecular modeling , H. Goossens, S. Catak, M. Glassner, V. De La Rosa, B. Monnery, F. De Proft, V. Van Speybroeck, R. Hoogenboom , ACS Macro Letters , 2, 651-654 , 2013 , IF: 5.242 , 6/82 [Q1]
Synthesis of 2-Hydroxy-1,4-oxazin-3-ones through Ring Transformation of 3-Hydroxy-4-(1,2-dihydroxyethyl)--lactams and a Study of Their Reactivity , K. Mollet, H. Goossens, N. Piens, S. Catak, M. Waroquier, V. Van Speybroeck, M. D'Hooghe, N. De Kimpe , Chemistry - A European Journal , 19 (10), 3383-3396 , 2013 , IF: 5.696 , 22/148 [Q1]

2012

Solvent-controlled selective transformation of 2-Bromomethyl-2-methylaziridines to functionalized aziridines and azetidines , S. Stankovic, H. Goossens, S. Catak, M. Tezcan, M. Waroquier, V. Van Speybroeck, M. D'Hooghe, N. De Kimpe , Journal of Organic Chemistry , 77, 3181-3190 , 2012 , IF: 4.564 , 9/55 [Q1]

2011

Reactivity of Activated versus Nonactivated 2-(Bromomethyl)aziridines with respect to Sodium Methoxide: a Combined Computational and Experimental Study , H. Goossens, K. Vervisch, S. Catak, S. Stankovic, M. D'Hooghe, F. De Proft, P. Geerlings, N. De Kimpe, M. Waroquier, V. Van Speybroeck , Journal of Organic Chemistry , 76 (21), 8698-8709 , 2011 , IF: 4.450 , 9/56 [Q1]
Synthesis of 3-Methoxyazetidines via an Aziridine to Azetidine Rearrangement and Theoretical Rationalization of the Reaction Mechanism , S. Stankovic, S. Catak, M. D'Hooghe, H. Goossens, K. Abbaspour Tehrani, P. Bogaert, M. Waroquier, V. Van Speybroeck, N. De Kimpe , Journal of Organic Chemistry , 76 (7), 2157-2167 , 2011 , IF: 4.450 , 9/56 [Q1]

Other Publications

B publications

2014

Reactivity of Aziridinium Salts in Different Solvents Unraveled by a Combined Theoretical and Experimental Approach , H. Goossens, D. Hertsen, S. Catak, M. D'Hooghe, F. De Proft, P. Geerlings, N. De Kimpe, M. Waroquier, V. Van Speybroeck , Springer [De Proft, Frank, Geerlings, Paul (Eds.)] , ISBN 9783642451485 , 2014

Dissertations

(D1) , Unraveling Reaction Mechanisms of Chemical Reactions in Solvents Using Advanced Molecular Modeling Tools , H. Goossens , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Saron Catak , 19/05/2017
(D2) , Inzicht in de vorming van 3-methoxy-3-methylazetidinen: Rationalisering van het reactiemechanisme via kwantummechanische berekeningen , H. Goossens , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. dr. ir. Norbert De Kimpe , 2010

Keynote / Plenary / Invited talks

Talks

2016

The CROP reaction of 2-oxazolines in silico , D. Hertsen, H. Goossens, R. Hoogenboom, V. Van Speybroeck, S. Catak , Macro 2016 , Istanbul, Turkey , Sun, 17/07/2016 to Thu, 21/07/2016

2014

Thermal Equilibration of Endiandric Acids and the [1,5] Sigmatropic Shift in Bicyclo[4.2.0]octa-2,4-dienes , H. Goossens, J. Winne, S. Wouters, P. J. De Clercq, M. Waroquier, V. Van Speybroeck, S. Catak , MOLCHEM2014 , Istanbul, Turkey , Fri, 19/12/2014
Triazolinediones enabling click and transclick reactions , H. Goossens, S. Billiet, K. De Bruycker, F. Driessen, J.M. Winne, F. Du Prez, V. Van Speybroeck , WATOC 2014 , Santiago de Chile, Chile , Sun, 05/10/2014 to Fri, 10/10/2014
Triazolinediones enable ultrafast and reversible click chemistry for the design of dynamic polymer systems , S. Billiet, H. Goossens , Annual IAP meeting , Louvain-la-Neuve, Belgium , Fri, 19/09/2014
Click/transclick reactions in combination with CRP: 'TAD's the spirit' , F. Du Prez, S. Billiet, K. De Bruycker, F. Driessen, H. Goossens, V. Van Speybroeck, J. Winne , 248th National Meeting of the American-Chemical-Society (ACS 2014 ) , San Francisco, CA , Sun, 10/08/2014 to Thu, 14/08/2014
Cationic ring-opening polymerization of 2-propyl-2-oxazolines: understanding structural effects on polymerization behavior based on molecular modeling , M. Glassner, H. Goossens, S. Catak, V. De La Rosa, B. Monnery, F. De Proft, V. Van Speybroeck, R. Hoogenboom , 248th National Meeting of the American-Chemical-Society (ACS 2014 ) , San Francisco, CA , Sun, 10/08/2014 to Thu, 14/08/2014
Towards better drug delivery systems: Theoretical calculations on the cationic ring-opening polymerization of poly(2-oxazoline)s , D. Hertsen, H. Goossens, R. Hoogenboom, V. Van Speybroeck , ChemCys , Blankenberge, Belgium , Thu, 27/02/2014 to Fri, 28/02/2014
Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity , N. Piens, K. Mollet, H. Goossens, S. Catak, M. Waroquier, K. Törnroos, V. Van Speybroeck, N. De Kimpe, M. D'Hooghe , 12th Chemistry Conference for Young Scientists , Blankenberge, Belgium , Thu, 27/02/2014 to Fri, 28/02/2014

2013

Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity , N. Piens, K. Mollet, H. Goossens, S. Catak, M. Waroquier, K. Törnroos, V. Van Speybroeck, N. De Kimpe, M. D'Hooghe , 17th Sigma-Aldrich Organic Synthesis Meeting , Blankenberge, Belgium , Thu, 05/12/2013 to Fri, 06/12/2013

2012

Chemistry: Theory meets Experiment , H. Goossens , 13th UGent FEA PhD Symposium , Ghent, Belgium , p. 34 , Wed, 05/12/2012

Posters

2016

The cationic ring opening of 2-oxazolines: a theoretical rationalisation , D. Hertsen, H. Goossens, R. Hoogenboom, S. Catak, V. Van Speybroeck , Chemical Research in Flanders , Blankenberge, Belgium , Mon, 24/10/2016 to Wed, 26/10/2016

2014

Theoretical Rationalization of the Propagation Rate Order of 2-Methyl-2-oxazoline and a Methyl Ester Functionalized 2-Oxazoline in Cationic Ring-opening Polymerizations , D. Hertsen, S. Catak, H. Goossens, P.J.M. Bouten, B. Monnery, V. Van Speybroeck, R. Hoogenboom , XIth Chemical Physics Congress (CPC-XI) , Istanbul, Turkey , Fri, 17/10/2014 to Sat, 18/10/2014
Theoretical Rationalization of the Cationic Ring-opening Polymerization of a Methyl Ester Functionalized 2-Oxazoline Monomer , D. Hertsen, H. Goossens, S. Catak, P.J.M. Bouten, M. Vergaelen, B. Monnery, J.C.M. van Hest, R. Hoogenboom, V. Van Speybroeck , Annual IAP Meeting (P7/05) , Louvain-La-Neuve, Belgium , Fri, 19/09/2014

2013

Triazolinediones for Irreversible and Reversible Linking in polymers: Theoretical Rationalization , H. Goossens, S. Billiet, K. De Bruycker, F. Driessen, J.M. Winne, F. Du Prez, V. Van Speybroeck , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Towards Better Drug Delivery Systems: Theoretical Calculations on the Cationic Ring-opening Polymerization of Poly(2-oxazoline)s , D. Hertsen, H. Goossens, R. Hoogenboom, V. Van Speybroeck , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Computational Rationalization of the Ring Transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams , H. Goossens, S. Catak, K. Mollet, N. Piens, M. D'Hooghe, N. De Kimpe, M. Waroquier, V. Van Speybroeck , 44th IUPAC World Chemistry Congress , Istanbul, Turkey , Sun, 11/08/2013 to Fri, 16/08/2013
DFT calculations on Aziridines within the supermolecule approach , H. Goossens, S. Catak, S. Stankovic, M. D'Hooghe, N. De Kimpe, M. Waroquier, V. Van Speybroeck , MolSim-2013 , Amsterdam, The Netherlands , Mon, 07/01/2013 to Fri, 18/01/2013

2012

DFT calculations on Aziridines within the supermolecule approach , H. Goossens, S. Catak, S. Stankovic, M. D'Hooghe, N. De Kimpe, M. Waroquier, V. Van Speybroeck , Theory and Applications of Comoutational Chemistry (TACC-2012) , Pavia, Italy , Sun, 02/09/2012 to Fri, 07/09/2012
Selective Transformation of 2-Bromomethyl-2-Methylaziridines to Functionalized Aziridines and Azetidines , S. Stankovic, M. D'Hooghe, S. Catak, H. Goossens, M. Waroquier, V. Van Speybroeck, K. Abbaspour Tehrani, N. De Kimpe , BOSS XIII - Belgian Organic Synthesis Symposium , KU Leuven Belgium , Sun, 15/07/2012 to Fri, 20/07/2012

2011

Selective Transformation of 2-Halomethyl-2-Methylaziridines to Functionalized Aziridines and Azetidines , S. Stankovic, M. D'Hooghe, S. Catak, H. Goossens, M. Waroquier, V. Van Speybroeck, K. Abbaspour Tehrani, N. De Kimpe , 15th Sigma-Aldrich Organic Synthesis Meeting , Spa, Belgium , Thu, 01/12/2011 to Fri, 02/12/2011
Reactivity of Three-membered Heterocyclic Rings with respect to Sodium Methoxide , H. Goossens, S. Catak, F. De Proft, P. Geerlings, M. Waroquier, V. Van Speybroeck , 14th International Conference on the Applications of Density Functional Theory in Chemistry and Physics , Athens, Greece , Mon, 29/08/2011 to Fri, 02/09/2011

Funding