2003 |
3 | EE | Patrick Bultinck,
Wilfried Langenaeker,
Ramon Carbó-Dorca,
Jan P. Tollenaere:
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method.
Journal of Chemical Information and Computer Sciences 43(2): 422-428 (2003) |
2002 |
2 | 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) |
2000 |
1 | EE | Frederik J. Tielens,
Wilfried Langenaeker,
Ahmet R. Ocakoglu,
Paul Geerlings:
Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites.
Journal of Computational Chemistry 21(11): 909-922 (2000) |