Antonio Francés-Monerris
0000-0001-8232-4989
43 papers found
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NHC-Based Iron Sensitizers for DSSCs
Quantum chemistry of the excited state: recent trends in methods developments and applications
Triplet photosensitization mechanism of thymine by an oxidized nucleobase: from a dimeric model to DNA environment
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
Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV)
Quantum Chemistry of Excited States in Polyhedral Boranes
Correction to “Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH• Adduct”
Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH•Adduct
Engineering Chemiluminescent Properties by Means of Non-Adiabatic Computational Chemistry
Towards the Understanding of the Larger Phosphorescence Quantum Yield than Fluorescence in Dioxetanone
Communication: Electronic UV-Vis transient spectra of the ∙OH reaction products of uracil, thymine, cytosine, and 5,6-dihydrouracil by using the complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory
Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH(center dot) Adduct (vol 118, pg 2932, 2014)
Advances in computational photochemistry and chemiluminescence of biological and nanotechnological molecules
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