1. A rare diiodo-L-tyrosine copper(II) complexes – Crystal and molecular structure of materials stabilized by weak interactions. (1st June 2022) Authors: Wojciechowska, Agnieszka; de Graaf, Coen; Rojek, Tomasz; Jerzykiewicz, Maria; Malik, Magdalena; Gągor, Anna; Duczmal, Marek Journal: Polyhedron Issue: Volume 219(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Amidinium‐Containing 2D [MnCr] Dimetallic Oxalate‐Based Networks – The Influence on Structure and Magnetism Explored by Combining Experience and Theory. Issue 26 (16th August 2016) Authors: Maxim, Catalin; Saureu, Sergi; de Graaf, Coen; Ferlay, Sylvie; Hosseini, Mir Wais; Robert, Vincent; Train, Cyrille Journal: European journal of inorganic chemistry Issue: Issue 26(2016) Page Start: 4185 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. ChemInform Abstract: Dicobalt‐μ‐oxo Polyoxometalate Compound, [(α2‐P2W17O61Co) 2O]14‐: A Potent Species for Water Oxidation, C—H Bond Activation, and Oxygen Transfer. Issue 16 (22nd April 2014) Authors: Barats‐Damatov, Delina; Shimon, Linda J. W.; Weiner, Lev; Schreiber, Roy E.; Jimenez‐Lozano, Pablo; Poblet, Josep M.; de Graaf, Coen; Neumann, Ronny Journal: ChemInform Issue: Volume 45:Issue 16(2014) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. ChemInform Abstract: Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians. Issue 8 (25th February 2014) Authors: Malrieu, Jean Paul; Caballol, Rosa; Calzado, Carmen J.; de Graaf, Coen; Guihery, Nathalie Journal: ChemInform Issue: Volume 45:Issue 8(2014) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111). Issue 16 (6th April 2021) Authors: Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen Journal: Dalton transactions Issue: Volume 50:Issue 16(2021) Page Start: 5540 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Computer-aided design of short-lived phosphorescent Ru(II) polarity probes. (March 2019) Authors: Ielasi, Guido; Alcover, Gerard; Casellas, Josep; de Graaf, Coen; Orellana, Guillermo; Reguero, Mar Journal: Dyes and pigments Issue: Volume 162(2019) Page Start: 168 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. 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. Issue 26 (20th June 2018) Authors: Notario-Estévez, Almudena; Kozłowski, Piotr; Linnenberg, Oliver; de Graaf, Coen; López, Xavier; Monakhov, Kirill Yu. Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 26(2018) Page Start: 17847 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+ bimetallic complex. Issue 11 (5th March 2015) Authors: Domingo, Alex; Angeli, Celestino; de Graaf, Coen; Robert, Vincent Journal: Journal of computational chemistry Issue: Volume 36:Issue 11(2015) Page Start: 861 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Gating the conductance of extended metal atom chains: a computational analysis of Ru3(dpa)4(NCS)2 and [Ru3(npa)4(NCS)2]. Issue 27 (2nd July 2021) Authors: Spivak, Mariano; de Graaf, Coen; Arcisauskaite, Vaida; López, Xavier Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 27(2021) Page Start: 14836 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. H2S‐Mediated Thermal and Photochemical Methane Activation. Issue 17 (22nd October 2013) Authors: Baltrusaitis, Jonas; de Graaf, Coen; Broer, Ria; Patterson, Eric V. Journal: Chemphyschem Issue: Volume 14:Issue 17(2013) Page Start: 3960 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗