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...
Veröffentlicht in: | Journal of applied crystallography. - 1998. - 48(2015), Pt 6 vom: 01. Dez., Seite 1785-1793 |
---|---|
1. Verfasser: | |
Weitere Verfasser: | , |
Format: | Aufsatz |
Sprache: | English |
Veröffentlicht: |
2015
|
Zugriff auf das übergeordnete Werk: | Journal of applied crystallography |
Schlagworte: | Journal Article anisotropic displacement parameters generalized invariom database segmented rigid-body analysis |