2008 |
5 | EE | Willem-Jan Van Zeist,
Célia Fonseca Guerra,
F. Matthias Bickelhaupt:
PyFrag - Streamlining your reaction path analysis.
Journal of Computational Chemistry 29(2): 312-315 (2008) |
2007 |
4 | EE | F. Matthias Bickelhaupt,
Miquel Solà,
Célia Fonseca Guerra:
Covalent versus ionic bonding in alkalimetal fluoride oligomers.
Journal of Computational Chemistry 28(1): 238-250 (2007) |
2004 |
3 | EE | Célia Fonseca Guerra,
Jan-Willem Handgraaf,
Evert Jan Baerends,
F. Matthias Bickelhaupt:
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.
Journal of Computational Chemistry 25(2): 189-210 (2004) |
2001 |
2 | EE | G. te Velde,
F. Matthias Bickelhaupt,
Evert Jan Baerends,
Célia Fonseca Guerra,
Stan J. A. van Gisbergen,
Jaap G. Snijders,
T. Ziegler:
Chemistry with ADF.
Journal of Computational Chemistry 22(9): 931-967 (2001) |
2000 |
1 | EE | Stan J. A. van Gisbergen,
Célia Fonseca Guerra,
Evert Jan Baerends:
Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory.
Journal of Computational Chemistry 21(16): 1511-1523 (2000) |