Dietmar Hertsen

Publications

A1 publications

Published

2018

[A1 Publication] Formation of Fluorinated Amido Esters through Unexpected C3-C4 Bond Fission in 4-Trifluoromethyl-3-oxo-β-lactams

Authors

Thi H. D.; Goossens H.; Hertsen D.; Otte V.; Van Nguyen T.; Van Speybroeck V.; D'Hooghe M.

Chemistry - An Asian Journal 2018. 13(4): 421 - 431.

http://dx.doi.org/10.1002/asia.201701636

2017

[A1 Publication] Reactivity of 3-oxo-β-lactams with respect to primary amines - an experimental and computational approach

Authors

Piens N.; Goossens H.; Hertsen D.; Deketelaere S.; Crul L.; Demeurisse L.; De Moor J.; Van den Broeck E.; Mollet K.; Van Hecke K.; Van Speybroeck V.; D'Hooghe M.

Chemistry-A European Journal 2017. 23(71): 18002 - 18009.

http://dx.doi.org/10.1002/chem.201703852

[A1 Publication] Tandem addition of phosphite nucleophiles across unsaturated nitrogen-containing systems: mechanistic insights on regioselectivity

Authors

Debrouwer W.; Hertsen D.; Heugebaert T. S. A.; Birsen Boydas E.; Van Speybroeck V.; Catak S.; Stevens C. V.

Journal of Organic Chemistry 2017. 82(1): 188 - 201.

http://dx.doi.org/10.1021/acs.joc.6b02340

2016

[A1 Publication] Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia

Authors

Moors S. L.; Brigou B.; Hertsen D.; Balazs P.; Geerlings P.; Van Speybroeck V.; Catak S.; De Proft F.

Journal of Organic Chemistry 2016. 81(4): 1635-1644.

http://dx.doi.org/10.1021/acs.joc.5b02794

2015

[A1 Publication] 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

Authors

Bouten P.; Hertsen D.; Vergaelen M.; Monnery B.; Catak S.; van Hest J.; Van Speybroeck V.; Hoogenboom R.

Journal of Polymer Science Part A: Polymer Chemistry 2015. 53(22): 2649 - 2661.

http://dx.doi.org/10.1002/pola.27733

[A1 Publication] Accelerated living cationic ring-opening polymerization of a methyl ester functionalized 2-oxazoline monomer

Authors

Bouten P. J. M.; Hertsen D.; Vergaelen M.; Monnery B.; Boerman M. A.; Goossens H.; Catak S.; van Hest J. C. M.; Van Speybroeck V.; Hoogenboom R.

Polymer Chemistry 2015. 6(4): 514 - 518.

http://dx.doi.org/10.1039/C4PY01373E

2014

[A1 Publication] Nucleophile-Dependent Regio- and Stereoselective Ring Opening of 1-Azoniabicyclo-[3.1.0]hexane Tosylate

Authors

Ji M.-K.; Hertsen D.; Yoon D.-H.; Eum H.; Goossens H.; Waroquier M.; Van Speybroeck V.; D'Hooghe M.; De Kimpe N.; Ha H.-J.

Chemistry - An Asian Journal 2014. 9(4): 1060 - 1067. IF: 4.587 26/157 [Q1]

http://dx.doi.org/10.1002/asia.201301551

Other publications

Books [B1/B2/B3]

Book chapter

[Book chapter] Reactivity of Aziridinium Salts in Different Solvents Unraveled by a Combined Theoretical and Experimental Approach

Goossens H.; Hertsen D.; Mollet K.; Catak S.; D'Hooghe M.; De Proft F.; Geerlings P.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

In Structure, Bonding and Reactivity of Heterocyclic Compounds, Springer, 2014. 1 - 34. ISBN/ISSN: 978-3-642-45148-5

Dissertations [MSc and PhD]

PhD thesis

2017

[PhD Thesis] Modeling the reactivity and selectivity of chemical reactions with advanced molecular modeling methods

Authors

Hertsen D.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. Saron Catak

Doctor of Engineering, 28/09/2017.

Master thesis

2012

[MSc Thesis] Computational study on the formation of N-spiro bis-aziridinium ions and their nucleophile-induced ring-opening reactions

Authors

Hertsen D.

Supervisor(s):

prof. dr. ir.

De Kimpe N.

prof. dr. ir. Veronique Van Speybroeck

Master of Science in Bioscience Engineering: Chemistry and Bioprocess Technology, 2012.

Talks

2016

[Talk] The CROP reaction of 2-oxazolines in silico

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.; Catak S.

Macro 2016, Istanbul, TR, 17/07/2016 - 21/07/2016

2015

[Talk] Accelerated living cationic ring-opening polymerization of methyl ester functionalized 2-oxazoline monomers

Authors

Hertsen D.; Vergaelen M.; Hoogenboom R.; Van Speybroeck V.

IAP annual meeting, Hasselt, BE, 11/09/2015

2014

[Talk] Towards better drug delivery systems: Theoretical calculations on the cationic ring-opening polymerization of poly(2-oxazoline)s

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.

12th Chemistry Conference for Young Scientists (ChemCys 2014), Blankenberge, BE, 27/02/2014 - 28/02/2014

Posters

2016

[Poster] The cationic ring opening of 2-oxazolines: a theoretical rationalisation

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Catak S.; Van Speybroeck V.

Chemical Research in Flanders Symposium, Blankenberge, BE, 24/10/2016 - 26/10/2016

[Poster] Stereoselectivity in furfuryl cation (4+3) cycloadditions

Authors

Denoo B.; Hertsen D.; Van Speybroeck V.; Catak S.; Winne J. M.

ECHC 2016 XXVII European Colloquium on Heterocyclic Chemistry, Amsterdam, NL, 03/07/2016 - 06/07/2016

2014

[Poster] Theoretical Rationalization of the Propagation Rate Order of 2-Methyl-2-oxazoline and a Methyl Ester Functionalized 2-Oxazoline in Cationic Ring-opening Polymerizations

Authors

Hertsen D.; Catak S.; Goossens H.; Bouten P. J. M.; Monnery B.; Van Speybroeck V.; Hoogenboom R.

Chemical Physics Congress-IX, Cesme, TR, 14/10/2010 - 16/10/2010

[Poster] Theoretical Rationalization of the Cationic Ring-opening Polymerization of a Methyl Ester Functionalized 2-Oxazoline Monomer

Authors

Hertsen D.; Goossens H.; Catak S.; Bouten P. J. M.; Vergaelen M.; Monnery B.; van Hest J. C. M.; Hoogenboom R.; Van Speybroeck V.

Annual IAP Meeting (P7/05), Louvain-la-Neuve, BE, 19/09/2014

2013

[Poster] Towards Better Drug Delivery Systems: Theoretical Calculations on the Cationic Ring-opening Polymerization of Poly(2-oxazoline)s

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

2012

[Poster] Computational Study on the Formation of N-spiro bis-Aziridinium Ions and Their Nucleophile-induced Ring Opening Reactions

Authors

Hertsen D.; Catak S.; Waroquier M.; D'Hooghe M.; De Kimpe N.; Van Speybroeck V.

QCB10, Brussels, BE, 10/02/2012

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Dietmar Hertsen

Publications

A1 publications

Published

2018

2017

2016

2015

2014

Other publications

Books [B1/B2/B3]

Book chapter

Dissertations [MSc and PhD]

PhD thesis

2017

Master thesis

2012

Talks

2016

2015

2014

Posters

2016

2014

2013

2012

Contact information

References