Coen de Graaf
0000-0001-8114-6658
University of Groningen
5 papers found
Refreshing results…
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems
Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States
Decoding the role of encapsulated ions in the electronic and magnetic properties of mixed-valence polyoxovanadate capsules {X@V22O54} (X = ClO4−, SCN−, VO2F2−): a combined theoretical approach
A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains
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