view article
Figure 1
(a) Flowchart visualizing the procedure for HAR or HAR-ELMO controlled by lamaGOET, interfacing Tonto for the Hirshfeld stockholder partitioning and refinement with other quantum-mechanical software for the wavefunction calculation. (b) Procedure of the XCW fitting in Tonto controlled by lamaGOET.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 3| June 2021| Pages 987-995
https://doi.org/10.1107/S1600576721002545
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS