Coen de Graaf
Orcid: 0000-0001-8114-6658
According to our database1,
Coen de Graaf
authored at least 8 papers
between 2004 and 2020.
Collaborative distances:
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Bibliography
2020
IBM J. Res. Dev., 2020
2015
J. Chem. Inf. Model., 2015
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe<sup>3+</sup>/Fe<sup>2+</sup> bimetallic complex.
J. Comput. Chem., 2015
2014
J. Comput. Chem., 2014
2012
Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations.
J. Comput. Chem., 2012
2009
Energetics of [Fe(NCH)<sub>6</sub>]<sup>2+</sup> via CASPT2 calculations: A spin-crossover perspective.
J. Comput. Chem., 2009
2008
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes.
J. Comput. Chem., 2008
2004
Putting error bars on the Ab Initio theoretical estimates of the magnetic coupling constants: The parent compounds of superconducting cuprates as a case study.
J. Comput. Chem., 2004