Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye

Bibila Mayaya Bisseyou, Y.; Bouhmaida, N.; Guillot, B.; Lecomte, C.; Lugan, N.; Ghermani, N.; Jelsch, C.

doi:10.1107/S0108768112042826

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 6
Topological properties at the bond critical points of C-102 for the EXPML model. The total electron density ρ_cp (e Å⁻³) and its Laplacian value ∇²ρ_cp (e Å⁻⁵) are depicted near each bond CP. The ellipticities and ELMAM2 topological values are in the supplementary materials .

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 68| Part 6| November 2012| Pages 646-660

doi:10.1107/S0108768112042826

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