Marcel Swart

Orcid: 0000-0002-8174-8488

According to our database1, Marcel Swart authored at least 13 papers between 2001 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2019
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States.
J. Chem. Inf. Model., 2019

2015
Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters.
J. Chem. Inf. Model., 2015

2014
Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters.
J. Chem. Inf. Model., 2014

2013
Corrigendum: Inter- and intramolecular dispersion interactions.
J. Comput. Chem., 2013

2011
Inter- and intramolecular dispersion interactions.
J. Comput. Chem., 2011

2010
The minimum polarizability principle for spin states.
J. Comput. Methods Sci. Eng., 2010

2009
Switching between OPTX and PBE exchange functionals.
J. Comput. Methods Sci. Eng., 2009

Role of the variable active site residues in the function of thioredoxin family oxidoreductases.
J. Comput. Chem., 2009

2008
QUILD: QUantum-regions interconnected by local descriptions.
J. Comput. Chem., 2008

2007
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods.
J. Comput. Chem., 2007

2006
Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation.
J. Comput. Chem., 2006

2004
Polarizabilities of amino acid residues.
J. Comput. Methods Sci. Eng., 2004

2001
A charge analysis derived from an atomic multipole expansion.
J. Comput. Chem., 2001


  Loading...