X‐ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review.

Autor: Davidson, Max L.1 (AUTHOR), Grabowsky, Simon2 (AUTHOR), Jayatilaka, Dylan1 (AUTHOR) dylan.jayatilaka@uwa.edu.au
Zdroj: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Jun2022, Vol. 78 Issue 3, p312-332. 21p.
Databáze: Academic Search Ultimate
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