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Combination of experimental and computational chemistry in the synthesis of new azahetrocycles

(2009)
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Abstract
This PhD was planned as a combination of experimental and computational chemistry. The goal was to synthesize new azaheterocyclic compounds with an interesting potential for biological activity starting from pyroglutamates and α-aminophosphonates, as the SynBioC research group has a lot of experience with these compounds, and to investigate different ways of conformational restriction via cyclization. The use of the computational methods to explain observed isomer ratios, stereoselectivities and reactivities, is supposed to bring insights that improve the chemical intuition. Meanwhile the applicability of the methods is evaluated and its use in a predictive way for similar reactions, can lead to the final goal of computational chemistry, i.e. to have predictive power.

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Citation

Please use this url to cite or link to this publication:

MLA
Claeys, Diederica. “Combination of Experimental and Computational Chemistry in the Synthesis of New Azahetrocycles.” 2009 : n. pag. Print.
APA
Claeys, Diederica. (2009). Combination of experimental and computational chemistry in the synthesis of new azahetrocycles. Ghent University. Faculty of Bioscience Engineering, Ghent, Belgium.
Chicago author-date
Claeys, Diederica. 2009. “Combination of Experimental and Computational Chemistry in the Synthesis of New Azahetrocycles”. Ghent, Belgium: Ghent University. Faculty of Bioscience Engineering.
Chicago author-date (all authors)
Claeys, Diederica. 2009. “Combination of Experimental and Computational Chemistry in the Synthesis of New Azahetrocycles”. Ghent, Belgium: Ghent University. Faculty of Bioscience Engineering.
Vancouver
1.
Claeys D. Combination of experimental and computational chemistry in the synthesis of new azahetrocycles. [Ghent, Belgium]: Ghent University. Faculty of Bioscience Engineering; 2009.
IEEE
[1]
D. Claeys, “Combination of experimental and computational chemistry in the synthesis of new azahetrocycles,” Ghent University. Faculty of Bioscience Engineering, Ghent, Belgium, 2009.
@phdthesis{786710,
  abstract     = {This PhD was planned as a combination of experimental and computational chemistry. The goal was to synthesize new azaheterocyclic compounds with an interesting potential for biological activity starting from pyroglutamates and α-aminophosphonates, as the SynBioC research group has a lot of experience with these compounds, and to investigate different ways of conformational restriction via cyclization. The use of the computational methods to explain observed isomer ratios, stereoselectivities and reactivities, is supposed to bring insights that improve the chemical intuition. Meanwhile the applicability of the methods is evaluated and its use in a predictive way for similar reactions, can lead to the final goal of computational chemistry, i.e. to have predictive power.},
  author       = {Claeys, Diederica},
  isbn         = {9789059893320},
  language     = {eng},
  pages        = {IX, 262},
  publisher    = {Ghent University. Faculty of Bioscience Engineering},
  school       = {Ghent University},
  title        = {Combination of experimental and computational chemistry in the synthesis of new azahetrocycles},
  url          = {http://lib.ugent.be/fulltxt/RUG01/001/367/059/RUG01-001367059_2010_0001_AC.pdf},
  year         = {2009},
}