X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate

Max L. Davidson
, Simon Grabowsky
, Dylan Jayatilaka

Research output: Contribution to journal › Article › peer-review

15 Citations (Web of Science)

15 Citations
1 Doctoral Thesis

1 results

2023
Beyond X-rays: a critical analysis of quantum chemistry based X-ray structure refinement and wavefunction fitting techniques.
Davidson, M., 2023, (Unpublished)
Research output: Thesis › Doctoral Thesis

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