Estimating temperature-dependent anisotropic hydrogen displacements with the invariom database and a new segmented rigid-body analysis program

Invariom partitioning and notation are used to estimate anisotropic hydrogen displacements for incorporation in crystallographic refinement models. Optimized structures of the generalized invariom database and their frequency computations provide the information required: frequencies are converted t...

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Detalles Bibliográficos
Autores principales: Lübben, Jens, Bourhis, Luc J., Dittrich, Birger
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4665659/
https://www.ncbi.nlm.nih.gov/pubmed/26664341
http://dx.doi.org/10.1107/S1600576715018075

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4665659/
https://www.ncbi.nlm.nih.gov/pubmed/26664341
http://dx.doi.org/10.1107/S1600576715018075

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