 | 2009 |
|---|
| 5 |       | Alexandra T. P. Carvalho,
Pedro Alexandrino Fernandes,
Marcel Swart,
Joost N. P. Van Stralen,
F. Matthias Bickelhaupt,
Maria João Ramos:
Role of the variable active site residues in the function of thioredoxin family oxidoreductases.
Journal of Computational Chemistry 30(5): 710-724 (2009) |
| 2008 |
|---|
| 4 | | Marcel Swart,
F. Matthias Bickelhaupt:
QUILD: QUantum-regions interconnected by local descriptions.
Journal of Computational Chemistry 29(5): 724-734 (2008) |
| 2007 |
|---|
| 3 | | Marcel Swart,
Miquel Solà,
F. Matthias Bickelhaupt:
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods.
Journal of Computational Chemistry 28(9): 1551-1560 (2007) |
| 2006 |
|---|
| 2 | | Marcel Swart,
Ernst Rösler,
F. Matthias Bickelhaupt:
Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation.
Journal of Computational Chemistry 27(13): 1486-1493 (2006) |
| 2001 |
|---|
| 1 | | Marcel Swart,
Piet Th. van Duijnen,
Jaap G. Snijders:
A charge analysis derived from an atomic multipole expansion.
Journal of Computational Chemistry 22(1): 79-88 (2001) |
