Antonio Francés-Monerris
0000-0001-8232-4989
32 papers found
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Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen
Hydroxyl Radical Addition to Thymine and Cytosine and Photochemistry of the Adducts at the C6 Position
Toward Luminescent Iron Complexes: Unravelling the Photophysics by Computing Potential Energy Surfaces
Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer
Iron(ii) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties
A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters
Conical intersection properties unraveled by the position spread tensor
NHC-Based Iron Sensitizers for DSSCs
Quantum chemistry of the excited state: recent trends in methods developments and applications
Substitution of the laser borane anti-B18H22 with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides
Triplet photosensitization mechanism of thymine by an oxidized nucleobase: from a dimeric model to DNA environment
Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: Intrinsic photostability of DNA
Regioselectivity of the OH Radical Addition to Uracil in Nucleic Acids. A Theoretical Approach Based on QM/MM Simulations
Triplet versus singlet chemiexcitation mechanism in dioxetanone: a CASSCF/CASPT2 study
Thermochromic Fluorescence from B18H20(NC5H5)2: An Inorganic-Organic Composite Luminescent Compound with an Unusual Molecular Geometry
Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones
Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2
A Combined Experimental and Theoretical Approach to the Photogeneration of 5,6-Dihydropyrimidin-5-yl Radicals in Nonaqueous Media
Theoretical study on the excited-state π-stacking versus intermolecular hydrogen-transfer processes in the guanine–cytosine/cytosine trimer
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles
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