view article
Figure 6
Two-dimensional Laplacians (panels A–C, −50 to 50 e Å−5, logarithmic iso-levels), 3D carbonyl Laplacians (panels D–F, at the −100 e Å−5 iso-level) and 3D Laplacians (panel G, at the 0.2 e Å−5 iso-surface) of the total electron density in the MM Mo Kα model of the carbonyl groups in WYLID. Blue lines show negative Laplacian values and indicate valence-shell charge concentration. Red lines show positive Laplacian values and indicate valence-shell charge depletion. Panel H shows the electrostatic potential in e Å−1 mapped onto the static total electron density at the 0.2 e Å−5 iso-surface.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 3| June 2025|
https://doi.org/10.1107/S160057672500175X
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