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Marcel Swart
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2010 – 2019
- 2019
- [j13]Stepan Stepanovic, Matija Zlatar
, Marcel Swart
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States. J. Chem. Inf. Model. 59(5): 1806-1810 (2019) - 2015
- [j12]Alexandra T. P. Carvalho
Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters. J. Chem. Inf. Model. 55(7): 1508 (2015) - 2014
- [j11]Alexandra T. P. Carvalho
Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters. J. Chem. Inf. Model. 54(2): 613-620 (2014) - 2013
- [j10]Marcel Swart
Corrigendum: Inter- and intramolecular dispersion interactions. J. Comput. Chem. 34(27): 2401-2402 (2013) - 2011
- [j9]Marcel Swart
Inter- and intramolecular dispersion interactions. J. Comput. Chem. 32(6): 1117-1127 (2011) - 2010
- [j8]Marcel Swart
The minimum polarizability principle for spin states. J. Comput. Methods Sci. Eng. 10(3-6): 609-614 (2010)
2000 – 2009
- 2009
- [j7]Alexandra T. P. Carvalho
Role of the variable active site residues in the function of thioredoxin family oxidoreductases. J. Comput. Chem. 30(5): 710-724 (2009) - [j6]Marcel Swart
Switching between OPTX and PBE exchange functionals. J. Comput. Methods Sci. Eng. 9(1-2): 69-77 (2009) - 2008
- [j5]Marcel Swart
QUILD: QUantum-regions interconnected by local descriptions. J. Comput. Chem. 29(5): 724-734 (2008) - 2007
- [j4]Marcel Swart
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods. J. Comput. Chem. 28(9): 1551-1560 (2007) - 2006
- [j3]Marcel Swart
Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. J. Comput. Chem. 27(13): 1486-1493 (2006) - 2004
- [j2]Marcel Swart, Jaap G. Snijders, Piet Th. van Duijnen:
Polarizabilities of amino acid residues. J. Comput. Methods Sci. Eng. 4(3): 419-425 (2004) - 2001
- [j1]Marcel Swart, Piet Th. van Duijnen, Jaap G. Snijders:
A charge analysis derived from an atomic multipole expansion. J. Comput. Chem. 22(1): 79-88 (2001)
Coauthor Index
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