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Quantum Chemical Study of the Interligand Electron Transfer in Ru Polypyridyl Complexes.
J Phys Chem A. 2018 Feb 1;122(4):1114-1123. doi: 10.1021/acs.jpca.7b11422. Epub 2018 Jan 17.
J Phys Chem A. 2018.
PMID: 29272128
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.
Casellas J, et al. Among authors: alcover fortuny g.
Materials (Basel). 2017 Nov 23;10(12):1342. doi: 10.3390/ma10121342.
Materials (Basel). 2017.
PMID: 29168765
Free PMC article.
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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.
Alcover-Fortuny G, et al.
Inorg Chem. 2016 Jun 6;55(11):5274-80. doi: 10.1021/acs.inorgchem.6b00194. Epub 2016 May 10.
Inorg Chem. 2016.
PMID: 27163862
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Spin-crossover in phenylazopyridine-functionalized Ni-porphyrin: trans-cis isomerization triggered by π-π interactions.
Alcover-Fortuny G, de Graaf C, Caballol R.
Alcover-Fortuny G, et al.
Phys Chem Chem Phys. 2015 Jan 7;17(1):217-25. doi: 10.1039/c4cp04402a.
Phys Chem Chem Phys. 2015.
PMID: 25381934
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