dr. Sofie Van Damme
- ORCID iD
-
0000-0001-8429-3661
Show
Sort by
-
Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density
-
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions
-
Can the current density map topology be extracted from the nucleus independent chemical shifts?
-
- Conference Paper
- C3
- open access
Hirshfeld-I charges : from molecules to solids : implementation, pitfalls and applications
-
- Conference Paper
- C3
- open access
How to calculate the electrostatic potential for systems with (quasi-) degenerate ground states
-
- Journal Article
- A1
- open access
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations
-
- Conference Paper
- C3
- open access
Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications
-
- Conference Paper
- C3
- open access
Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
-
- Journal Article
- A1
- open access
Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes
-
- Journal Article
- A1
- open access
Structure and stability of cyclic peptide based nanotubes : a molecular dynamics study of the influence of amino acid composition