Dietmar Hertsen

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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]
Tandem addition of phosphite nucleophiles across unsaturated nitrogen-containing systems: mechanistic insights on regioselectivity , W. Debrouwer, D. Hertsen, T.S.A Heugebaert, E. Birsen Boydas, V. Van Speybroeck, S. Catak, C.V. Stevens , Journal of Organic Chemistry , 82 (1), 188–201 , 2017 , IF: 4.849 , 8/59 [Q1]

2016

Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia , S.L. Moors, B. Brigou, D. Hertsen, P. Balazs, P. Geerlings, V. Van Speybroeck, S. Catak, F. De Proft , Journal of Organic Chemistry , 81 (4), 1635-1644 , 2016 , IF: 4.785 , 7/59 [Q1]

2015

Synthesis of poly(2-oxazoline)s with side chain methyl ester functionalities: Detailed understanding of copolymerization behavior of methyl ester containing monomers with 2-alkyl-2-oxazolines , P. Bouten, D. Hertsen, M. Vergaelen, B. Monnery, S. Catak, J. van Hest, V. Van Speybroeck, R. Hoogenboom , Journal of Polymer Science Part A: Polymer Chemistry , 7 (17), 2711-2719 , 2015 , IF: 3.113 , 4/85 [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

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]

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) , Modeling the reactivity and selectivity of chemical reactions with advanced molecular modeling methods , D. Hertsen , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Saron Catak , 28/09/2017
(D2) , Computational study on the formation of N-spiro bis-aziridinium ions and their nucleophile-induced ring-opening reactions , D. Hertsen , Supervisor(s): Prof. dr. ir. Norbert De Kimpe, Prof. Dr. ir. Veronique Van Speybroeck , 2012

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

2015

Accelerated living cationic ring-opening polymerization of methyl ester functionalized 2-oxazoline monomers , D. Hertsen, M. Vergaelen, R. Hoogenboom, V. Van Speybroeck , IAP annual meeting , Hasselt, Belgium , Fri, 11/09/2015

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

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
Stereoselectivity in furfuryl cation (4+3) cycloadditions , B. Denoo, D. Hertsen, V. Van Speybroeck, S. Catak, J.M. Winne , ECHC 2016 XXVII European Colloquium on Heterocyclic Chemistry , Amsterdam, Netherlands , Sun, 03/07/2016 to Wed, 06/07/2016

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

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

2012

Computational Study on the Formation of N-spiro bis-Aziridinium Ions and Their Nucleophile-induced Ring Opening Reactions , D. Hertsen, S. Catak, M. Waroquier, M. D'Hooghe, N. De Kimpe, V. Van Speybroeck , QCB10 , Brussels, Belgium , Fri, 10/02/2012

Funding