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Results: 120

Sandeep K. Padamati, Davide Angelone, Apparao Draksharapu, Gloria Primi, David James Martin, Moniek Tromp, Marcel Swart, Wesley R. Browne
Transient Formation and Reactivity of a High Valent Nickel(IV) Oxido Complex
J. Am. Chem. Soc., 2017, 139, 8718-8724
DOI: 10.1021/jacs.7b04158
Keywords: Catalysis, Computational chemistry, Density Functional Theory, High-valent metal complexes, Homogeneous catalysis

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/c7ob01814b
Keywords: Spin states

Abril Castro, Marcel Swart, Célia 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
DOI: 10.1039/C7CP00397H
Keywords: Chemical bonding, Computational chemistry, Spectroscopy, Density Functional Theory

Marcel Swart, Maja Gruden
Spinning around in Transition-Metal Chemistry
Acc. Chem. Res., 2016, 49, 2690–2697
DOI: 10.1021/acs.accounts.6b00271
Keywords: Spin states

Debasis Das, Jaydeep Adhikary, Aratrika Chakraborty, Sanchari Dasgupta, ShyamalKumar Chattopadhyay, Rafał Kruszynski, Agata Trzesowska-Kruszynska, Stepan Stepanovic, Maja Gruden-Pavlović, Marcel Swart
Unique mononuclear MnII complexes of end-off compartmental Schiff base ligand: experimental and theoretical study on their bio-relevant catalytic promiscuity
Dalton Trans., 2016, 45, 12409-12422
DOI: 10.1039/C6DT00625F
Keywords: Homogeneous catalysis

Ethan A. Hill, Andrew C. Weitz, Elizabeth Onderko, Adrian Romero-Rivera, Yisong Guo, Marcel Swart, Emile L. Bominaar, Michael T. Green, Michael P. Hendrich, David C. Lacy, Andrew Scott Borovik
Reactivity of an FeIV –Oxo Complex with Protons and Oxidants
J. Am. Chem. Soc., 2016, 40, 13143–13146
DOI: 10.1021/jacs.6b07633
Keywords: Homogeneous catalysis

Paolo Pirovano, Erik R. Farquhar, Marcel Swart, Aidan R. McDonald
Tuning the Reactivity of Terminal Nickel(III)–Oxygen Adducts for C–H Bond Activation
J. Am. Chem. Soc., 2016, 138, 14362-14370
DOI: 10.1021/jacs.6b08406
Keywords: Homogeneous catalysis

Paolo Pirovano, Erik R. Farquhar, Marcel Swart, Anthony J. Fitzpatrick, Grace G. Morgan, Aidan R. McDonald
Characterization and Reactivity of a Terminal Nickel(III)-Oxygen Adduct
Chem-Eur J., 2015, 21, 3785-3790
DOI: 10.1002/chem.201406485
Keywords: Homogeneous catalysis

Marcel Swart, P. Th. van Duijnen
Rapid determination of polarizability exaltation in fullerene-based nanostructures
J. Mater. Chem. C, 2015, 3, 23-25
DOI: 10.1039/C4TC02060J

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/JSC150611068G
Keywords: Spin states

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