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SHADE3 server: a streamlined approach to estimate H‐atom anisotropic displacement parameters using periodic ab initio calculations or experimental information
Author(s) -
Madsen Anders Østergaard,
Hoser Anna A.
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576714022973
Subject(s) - ab initio , displacement (psychology) , ab initio quantum chemistry methods , neutron diffraction , anisotropy , atom (system on chip) , proton , diffraction , range (aeronautics) , diagram , chemistry , computational physics , physics , molecular physics , computer science , materials science , molecule , nuclear physics , quantum mechanics , database , psychology , composite material , psychotherapist , embedded system