2003 |
5 | EE | Patrick Bultinck,
Ramon Carbó-Dorca,
Christian Van Alsenoy:
Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.
Journal of Chemical Information and Computer Sciences 43(4): 1208-1217 (2003) |
4 | EE | Frank De Proft,
Ricardo Vivas-Reyes,
Anik Peeters,
Christian Van Alsenoy,
Paul Geerlings:
Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties.
Journal of Computational Chemistry 24(4): 463-470 (2003) |
2002 |
3 | EE | Frank De Proft,
Christian Van Alsenoy,
Anik Peeters,
Wilfried Langenaeker,
Paul Geerlings:
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density.
Journal of Computational Chemistry 23(12): 1198-1209 (2002) |
1996 |
2 | EE | Guang Wu,
Sven Jacobs,
M. G. Verbruggen,
Albert T. H. Lenstra,
Christian Van Alsenoy,
Herman J. Geise,
L. van Meervelt:
Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1, 4-bis[2-(3, 4, 5-trimethoxyphenyl)ethenyl]benzene.
Journal of Computational Chemistry 17(10): 1245-1257 (1996) |
1 | EE | Guang Wu,
Sven Jacobs,
Albert T. H. Lenstra,
Christian Van Alsenoy,
Herman J. Geise:
2, 5-Dimethoxy-1, 4-bis[2-(2, 4-dimethoxyphenyl) ethenyl]benzene studied by quantum chemical calculations and single crystal X-ray diffraction.
Journal of Computational Chemistry 17(16): 1820-1835 (1996) |