Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid

Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard

doi:10.1039/D0CE01425G

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TY  - JOUR
AU  - Mroz, Damian
AU  - Wang, Ruimin
AU  - Englert, Ulli
AU  - Dronskowski, Richard
TI  - Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid
JO  - CrystEngComm
VL  - 23
IS  - 4
SN  - 1466-8033
CY  - London
PB  - RSC
M1  - FZJ-2022-01774
SP  - 1052 - 1058
PY  - 2021
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1039/D0CE01425G
UR  - https://juser.fz-juelich.de/record/906956
ER  -

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