Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Walter Snor"'
Autor:
Walter Snor, Helmut Viernstein, Peter Wolschann, Elisabeth Liedl, Petra Weiss-Greiler, Alfred Karpfen
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 139:363-371
Conformations of α-, β-, and γ-CDs under anhydrous conditions in the gas phase were investigated by a density functional method, B3LYP/6-31G(d,p). These calculations resulted in several symmetric conformations with different energies. The lowest e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3213e782972fa83805b4a7d33c4233aa
https://doi.org/10.1007/s00706-007-0811-2
https://doi.org/10.1007/s00706-007-0811-2
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 57:29-33
Molecular dynamics simulations on β-cyclodextrin in vacuo, with water and complexed with spironolactone (SP) were performed at a temperature of 300 K over a period of 1 ns. Two different orientations of SP in the cavity were considered. Along with c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::98218a15c1fc6a333aa50f0c8974ba86
https://doi.org/10.1007/s10847-006-9165-3
https://doi.org/10.1007/s10847-006-9165-3
Autor:
Peter Wolschann, Petra Weiss-Greiler, Alfred Karpfen, Elisabeth Liedl, Helmut Viernstein, Walter Snor
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 57:35-38
Low-energy conformations of β-cyclodextrin under anhydrous conditions in the gas phase were investigated by DFT calculations. In these conformations, two homodromic hydrogen bond rings are formed with very short hydrogen bonds at the narrow side of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::209df77d799e030b563184df71026e51
https://doi.org/10.1007/s10847-006-9166-2
https://doi.org/10.1007/s10847-006-9166-2
Publikováno v:
International journal of pharmaceutics. 381(2)
The geometries of the cyclodextrin (CD) inclusion complexes with various tautomeric forms of meloxicam in gas phase were determined by DFT calculation (B3LYP/6-31G (d,p)). The interaction energies were estimated including basis set superposition erro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::582fe9f8614fe5fffa05adc63ea7e8b8
https://pubmed.ncbi.nlm.nih.gov/19446616
https://pubmed.ncbi.nlm.nih.gov/19446616
Autor:
Alfred Karpfen, Elisabeth Liedl, Walter Snor, Helmut Viernstein, Petra Weiss-Greiler, Peter Wolschann
Publikováno v:
Chemical Monthly / Monatshefte für Chemie; Apr2008, Vol. 139 Issue 4, p363-371, 9p
Autor:
Alfred Karpfen, Elisabeth Liedl, Walter Snor, Petra Weiss-Greiler, Helmut Viernstein, Peter Wolschann
Publikováno v:
Journal of Inclusion Phenomena & Macrocyclic Chemistry; Apr2007, Vol. 57 Issue 1-4, p35-38, 4p
Publikováno v:
Journal of Inclusion Phenomena & Macrocyclic Chemistry; Apr2007, Vol. 57 Issue 1-4, p29-33, 5p