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Items: 4

1.

Quantum Chemical Study of the Interligand Electron Transfer in Ru Polypyridyl Complexes.

Alcover-Fortuny G, Wu J, Caballol R, de Graaf C.

J Phys Chem A. 2018 Feb 1;122(4):1114-1123. doi: 10.1021/acs.jpca.7b11422. Epub 2018 Jan 17.

PMID:
29272128
2.

Phenylazopyridine as Switch in Photochemical Reactions. A Detailed Computational Description of the Mechanism of Its Photoisomerization.

Casellas J, Alcover-Fortuny G, de Graaf C, Reguero M.

Materials (Basel). 2017 Nov 23;10(12). pii: E1342. doi: 10.3390/ma10121342.

3.

Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes.

Alcover-Fortuny G, Caballol R, Pierloot K, de Graaf C.

Inorg Chem. 2016 Jun 6;55(11):5274-80. doi: 10.1021/acs.inorgchem.6b00194. Epub 2016 May 10.

PMID:
27163862
4.

Spin-crossover in phenylazopyridine-functionalized Ni-porphyrin: trans-cis isomerization triggered by π-π interactions.

Alcover-Fortuny G, de Graaf C, Caballol R.

Phys Chem Chem Phys. 2015 Jan 7;17(1):217-25. doi: 10.1039/c4cp04402a.

PMID:
25381934

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