Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2

por Segarra-Martí, Javier, Francés-Monerris, Antonio, Roca-Sanjuán, Daniel, Merchán, Manuela
Publicado 2016

Spatial and Temporal Resolution of the Oxygen-Independent Photoinduced DNA Interstrand Cross-Linking by a Nitroimidazole Derivative

por Abdelgawwad, Abdelazim M. A., Monari, Antonio, Tuñón, Iñaki, Francés-Monerris, Antonio
Publicado 2022

Iron’s Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

por Diez-Cabanes, Valentin, Prampolini, Giacomo, Francés-Monerris, Antonio, Monari, Antonio, Pastore, Mariachiara
Publicado 2020

Substituent-Induced Control of fac/mer Isomerism in Azine-NHC Fe(II) Complexes

por Carrillo, Ulises, Francés-Monerris, Antonio, Marri, Anil Reddy, Cebrián, Cristina, Gros, Philippe C.
Publicado 2022

Theoretical Study on the Photo-Oxidation and Photoreduction of an Azetidine Derivative as a Model of DNA Repair

por Navarrete-Miguel, Miriam, Francés-Monerris, Antonio, Miranda, Miguel A., Lhiaubet-Vallet, Virginie, Roca-Sanjuán, Daniel
Publicado 2021

Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA

por Francés-Monerris, Antonio, Gattuso, Hugo, Roca-Sanjuán, Daniel, Tuñón, Iñaki, Marazzi, Marco, Dumont, Elise, Monari, Antonio
Publicado 2018

Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

por Darari, Mohamed, Francés-Monerris, Antonio, Marekha, Bogdan, Doudouh, Abdelatif, Wenger, Emmanuel, Monari, Antonio, Haacke, Stefan, Gros, Philippe C.
Publicado 2020

Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Inte...

por Borrego-Sánchez, Ana, Zemmouche, Madjid, Carmona-García, Javier, Francés-Monerris, Antonio, Mulet, Pep, Navizet, Isabelle, Roca-Sanjuán, Daniel
Publicado 2021

Light‐Induced On/Off Switching of the Surfactant Character of the o‐Cobaltabis(dicarbollide) Anion with No Covalent Bond Alteration

por Abdelgawwad, Abdelazim M. A., Xavier, Jewel Ann Maria, Roca‐Sanjuán, Daniel, Viñas, Clara, Teixidor, Francesc, Francés‐Monerris, Antonio
Publicado 2021

Photochemical and thermochemical pathways to S(2) and polysulfur formation in the atmosphere of Venus

por Francés-Monerris, Antonio, Carmona-García, Javier, Trabelsi, Tarek, Saiz-Lopez, Alfonso, Lyons, James R., Francisco, Joseph S., Roca-Sanjuán, Daniel
Publicado 2022

Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere

por Saiz-Lopez, Alfonso, Travnikov, Oleg, Sonke, Jeroen E., Thackray, Colin P., Jacob, Daniel J., Carmona-García, Javier, Francés-Monerris, Antonio, Roca-Sanjuán, Daniel, Acuña, A. Ulises, Dávalos, Juan Z., Cuevas, Carlos A., Jiskra, Martin, Wang, Feiyue, Bieser, Johannes, Plane, John M. C., Francisco, Joseph S.
Publicado 2020