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On the temperature dependence of H-U (iso) in the riding hydrogen model
The temperature dependence of H-U (iso) in N-acetyl-l-4-hydroxyproline monohydrate is investigated. Imposing a constant temperature-independent multiplier of 1.2 or 1.5 for the riding hydrogen model is found to be inaccurate, and severely underestimates H-U (iso) below 100 K. Neutron diffraction dat...
Autores principales: | Lübben, Jens, Volkmann, Christian, Grabowsky, Simon, Edwards, Alison, Morgenroth, Wolfgang, Fabbiani, Francesca P. A., Sheldrick, George M., Dittrich, Birger |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4075069/ https://www.ncbi.nlm.nih.gov/pubmed/25970187 http://dx.doi.org/10.1107/S2053273314010626 |
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