HIGHLIGHTS
- who: CCDC references et al. from the (LPCT), CNRS, Boulevard Arago, Metz, France, dThe University of Western Australia, School of have published the research: The advanced treatment of hydrogen bonding in quantum crystallography, in the Journal: (JOURNAL)
- what: The authors demonstrate a HARELMO treatment of the tripeptide l-alanyl-glycyl-l-alanine (AGA), co-crystallized with one hydrogen-bonded water molecule, and compare deformation electron densities. In a final step of this section of the study the authors compare the theoretical electron densities underlying the different HARs presented in Table 3. The authors show the . . .
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