Internal Dynamics of Norethisterone by NMR, IINS and QC Methods |
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| Journal | Solid State Phenomena (Volume 112) |
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| Volume | Materials in Transition |
| Edited by | Ludwik Dobrzynski and Krystyna Perzynska |
| Pages | 93-100 |
| DOI | 10.4028/www.scientific.net/SSP.112.93 |
| Citation | Krystyna Holderna-Natkaniec et al., 2006, Solid State Phenomena, 112, 93 |
| Online since | May, 2006 |
| Authors | Krystyna Holderna-Natkaniec, Ireneusz Natkaniec, Kazimierz Jurga, Dorota Nowak, Andrzej Szyczewski |
| Keywords | Internal Dynamics of Methyl Group, Steroids Compounds, Vibrational Spectoscopy |
| Abstract | The low-temperature inelastic incoherent neutron scattering spectrum of norethisterone was compared with that calculated by the density functional theory method. The quantum chemical calculations permitted proposing the assignment of the vibrational modes. In particular, the dynamics of the methyl group substituted at C(13) of the steroid skeleton was analysed on the basis of the neutron scattering spectra and temperature dependence of the spin-lattice relaxation time (1H NMR). |
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