T. Hamlin, M. Swart, and F.M. Bickelhaupt
"Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent"
ChemPhysChem 2018, 19, 1315-1330 [abstract] [cover]
DOI: 10.1002/cphc.201701363
I. Monte Pérez, X. Engelmann, Y-M. Lee, M. Yoo, K. Elumalai, E.R. Farquhar, E. Bill, J. England, W. Nam, M. Swart and K. Ray
"A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3O Macrocylic Ligand"
Angew. Chem. Int. Ed. 2017, 56, 14384-14388 [abstract] [frontispiece]
DOI: 10.1002/anie.201707872
A.C Castro, M. Swart and C. Fonseca Guerra
"Influence of Substituents and Environment on NMR Shielding Constants of Supramolecular Complexes based on A-T and A-U Base Pairs"
Phys. Chem. Chem. Phys. 2017, 19, 13496-13502 [abstract] [back-cover]
DOI: 10.1039/c7cp00397h
A.C. Castro, E. Osorio, J.L. Cabellos, E. Cerpa, E. Matito, M. Solà, M. Swart and G. Merino
"Exploring the Potential Energy Surface of E2P4 clusters (E = Group 13 Element): The quest of inverse carbon-free sandwiches"
Chem. Eur. J. 2014, 20, 4583-4590 [abstract] [cover] [cover-profile]
DOI: 10.1002/chem.201304685
M. Garcia-Borràs, S. Osuna, M. Swart, J.M. Luis and M. Solà
"Maximum aromaticity as guiding principle for the most suitable hosting cages in endohedral metallofullerenes"
Angew. Chem. 2013, 125, 9445-9448 [abstract] [back-cover]
Angew. Chem. Int. Ed. 2013, 52, 9275-9278: [abstract] [back-cover]
DOI: 10.1002/ange.201303636, 10.1002/anie.201303636
M. Swart
"Spin states of (bio)inorganic systems: successes and pitfalls"
Int. J. Quant. Chem. 2013, 113, 2-7 [abstract] [cover] #OpenAccess
DOI: 10.1002/qua.24255
See ChemistryViews news-item with interview
S. Osuna, R. Valencia, A. Rodríguez-Fortea, M. Swart, M. Solà and J.M. Poblet
"Full Exploration of the Diels-Alder Cycloaddition on Metallofullerenes M3N@C80 (M = Sc, Lu, Gd): D5h vs Ih Isomer, and Influence of the Metal Cluster"
Chem. Eur. J. 2012, 18, 8944-8956 [abstract] [cover]
DOI: 10.1002/chem.201200940
Selected as VIP paper, highlighted in Angew. Chem. and in Cesca's TeraFlop magazine (Oct. 2012, p. 6-7)
S. Osuna, A. Rodríguez-Fortea, J.M. Poblet, M. Solà and M. Swart
"Product Formation in the Prato Reaction on Sc3N@D5h-C80: Preference for [5,6]-Bonds, and not Pyracylenic Bonds"
Chem. Commun. 2012, 48, 2486-2488 [abstract] [cover]
DOI: 10.1039/c2cc17210k
S. Osuna, M. Swart and M. Solà
"The reactivity of endohedral fullerenes. What can be learnt from computational studies?"
Phys. Chem. Chem. Phys. 2011, 13, 3585-3603 [abstract] [cover]
DOI: 10.1039/c0cp01594f