Publications

Fast filter by year:

More filters

Results: 136

Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt
Nucleophilic Substitution at Phosphorus Centers (SN2@P)
ChemPhysChem, 2007, 8, 2452-2463
DOI: 10.1002/cphc.200700488

Marcel Swart
Metalligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding
Inorganica Chimica Acta, 2007, 360, 179-189
DOI: 10.1016/j.ica.2006.07.073
Keywords: Spin states

Marcel Swart, Tushar Wijst, Célia Fonseca Guerra, F. Matthias Bickelhaupt
π-π stacking tackled with Density Functional Theory
J Mol Model, 2007, 13, 1245-1257
DOI: 10.1007/s00894-007-0239-y

Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods
J. Comput. Chem., 2007, 28, 1551-1560
DOI: 10.1002/jcc.20653

Milan Remko, Marcel Swart, F. Matthias Bickelhaupt
Conformational Behavior of Basic Monomeric Building Units of Glycosaminoglycans: Isolated Systems and Solvent Effect
J. Phys. Chem. B, 2007, 111, 2313-2321
DOI: 10.1021/jp0646271

Tushar van der Wijst, Célia Fonseca Guerra, Marcel Swart, F. Matthias Bickelhaupt
Performance of various density functionals for the hydrogen bonds in DNA base pairs
Chemical Physics Letters, 2006, 426, 415-421
DOI: 10.1016/j.cplett.2006.06.057

Previous

1 2 3 4 5 6 7 8 9 10 11 12 13 14


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):