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Sofie Van Damme
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2010 – 2019
- 2018
- [j6]Guillaume Acke, Sofie Van Damme
, Remco W. A. Havenith
, Patrick Bultinck:
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions. J. Comput. Chem. 39(9): 511-519 (2018) - 2013
- [j5]Patrick Bultinck
, Sofie Van Damme, Andrés Cedillo
:
Bond fukui indices: Comparison of frozen molecular orbital and finite differences through mulliken populations. J. Comput. Chem. 34(28): 2421-2429 (2013) - 2010
- [j4]Stijn Fias
, Sofie Van Damme, Patrick Bultinck
:
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: Proof of further nonlocality. J. Comput. Chem. 31(12): 2286-2293 (2010)
2000 – 2009
- 2009
- [j3]Sofie Van Damme, Patrick Bultinck
:
Conceptual DFT properties-based 3D QSAR: Analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. J. Comput. Chem. 30(12): 1749-1757 (2009) - 2008
- [j2]Stijn Fias
, Sofie Van Damme, Patrick Bultinck
:
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons. J. Comput. Chem. 29(3): 358-366 (2008) - 2007
- [j1]Sofie Van Damme, Patrick Bultinck
:
A new computer program for QSAR-analysis: ARTE-QSAR. J. Comput. Chem. 28(11): 1924-1928 (2007)
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