Marcel Swart

Publication Activity (10 Years)

Years Active: 2001-2019
Publications (10 Years): 2

Top Topics

Biologically Relevant

Biological Networks

Complex Structures

Clustering Algorithm

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Stepan Stepanovic, Matija Zlatar, Marcel Swart, Maja Gruden
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States. J. Chem. Inf. Model. 59 (5) (2019)
Alexandra T. P. Carvalho, Marcel Swart
Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters. J. Chem. Inf. Model. 55 (7) (2015)
Alexandra T. P. Carvalho, Marcel Swart
Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters. J. Chem. Inf. Model. 54 (2) (2014)
Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Corrigendum: Inter- and intramolecular dispersion interactions. J. Comput. Chem. 34 (27) (2013)
Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Inter- and intramolecular dispersion interactions. J. Comput. Chem. 32 (6) (2011)
Marcel Swart
The minimum polarizability principle for spin states. J. Comput. Methods Sci. Eng. 10 (3-6) (2010)
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. J. Comput. Chem. 30 (5) (2009)
Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Switching between OPTX and PBE exchange functionals. J. Comput. Methods Sci. Eng. 9 (1-2) (2009)
Marcel Swart, F. Matthias Bickelhaupt
QUILD: QUantum-regions interconnected by local descriptions. J. Comput. Chem. 29 (5) (2008)
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. 28 (9) (2007)
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. J. Comput. Chem. 27 (13) (2006)
Marcel Swart, Jaap G. Snijders, Piet Th. van Duijnen
Polarizabilities of amino acid residues. J. Comput. Methods Sci. Eng. 4 (3) (2004)
Marcel Swart, Piet Th. van Duijnen, Jaap G. Snijders
A charge analysis derived from an atomic multipole expansion. J. Comput. Chem. 22 (1) (2001)