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Scientia Pharmaceutica
  • Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
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12 July 2010

Density Functional Theory Calculations on Methylated β-Cyclodextrins

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1
Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, 1090 Vienna, Austria
2
Institute of Theoretical Chemistry, University of Vienna, 1090 Vienna, Austria
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Author to whom correspondence should be addressed.

Abstract

Density functional theory studies at the B3LYP/6-31G(d,p) and M06-2X/6- 31G(d,p) levels have been used to determine the geometries and the enthalpies of formation of several methylated β-cyclodextrins. [...]

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