Results: 17
Stepan Stepanovic, Matija Zlatar, Marcel Swart, Maja Gruden
The Irony of Manganocene – An Interplay Between the Jahn-Teller Effect and Close Lying Electronic and Spin States
J. Chem. Inf. Model., 2019, 59, 1806-1810
DOI: 10.1021/acs.jcim.8b00870Keywords: Chemical bonding, Computational chemistry, Supramolecular chemistry, Spin states
S. Stepanović, Davide Angelone, M. Gruden, Marcel Swart
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
Org. Biomol. Chem., 2017, 15, 7860-7868
DOI: 10.1039/c7ob01814bKeywords: Spin states
Marcel Swart, Maja Gruden
Spinning around in Transition-Metal Chemistry
Acc. Chem. Res., 2016, 49, 2690–2697
DOI: 10.1021/acs.accounts.6b00271Keywords: Spin states
Maja Gruden, Stepan Stepanovic, Marcel Swart
Spin state relaxation of iron complexes: The case for OPBE and S12g
JSCS, 2015, 80, 1399-1410
DOI: 10.2298/JSC150611068GKeywords: Spin states
Maja Gruden-Pavlović, Stepan Stepanovic, Marko Peric, Mireia Güell, Marcel Swart
Density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals
Phys. Chem. Chem. Phys., 2014, 16, 14514-14522
DOI: 10.1039/c3cp55488kKeywords: Spin states
Marcel Swart
A change in the oxidation state of iron: scandium is not innocent
Chem. Commun., 2013, 49, 6650-6652
DOI: 10.1039/c3cc42200cKeywords: Spin states, Homogeneous catalysis
Stepan Stepanović, Ljubica Andjelković, Matija Zlatar, Katarina Anđelković, Maja Gruden-Pavlović, Marcel Swart
Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study
Inorg. Chem., 2013, 52, 13415-13423
DOI: 10.1021/ic401752nKeywords: Spin states
Marcel Swart
Spin states of (bio)inorganic systems: Successes and pitfalls
Int. J. Quantum Chem., 2013, 113, 2-7
DOI: 10.1002/qua.24255Keywords: Spin states
Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, Marcel Swart
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Phys. Chem. Chem. Phys., 2013, 15, 6631-6639
DOI: 10.1039/c2cp43735jKeywords: Spin states
Marcel Swart, Mireia Güell, Miquel Solà
A multi-scale approach to spin crossover in Fe(ii) compounds
Phys. Chem. Chem. Phys., 2011, 13, 10449-10456
DOI: 10.1039/c1cp20646jKeywords: Spin states