AttoDNA: how electronic motions affect the photostability of the genomic material

Publikacje

Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation

Autorzy: Javier Segarra-Martí, Thierry Tran, Michael J. Bearpark
Opublikowane w: Physical Chemistry Chemical Physics, Numer 21/26, 2019, Strona(/y) 14322-14330, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c8cp07189f

Computing the Ultrafast and Radiationless Electronic Excited State Decay of Cytosine and 5‐methyl‐cytosine Cations: Uncovering the Role of Dynamic Electron Correlation

Autorzy: Javier Segarra‐Martí, Thierry Tran, Michael J. Bearpark
Opublikowane w: ChemPhotoChem, Numer 3/9, 2019, Strona(/y) 856-865, ISSN 2367-0932
Wydawca: Wiley
DOI: 10.1002/cptc.201900105

Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine

Autorzy: Javier Segarra-Martí, Francesco Segatta, Tristan A. Mackenzie, Artur Nenov, Ivan Rivalta, Michael J. Bearpark, Marco Garavelli
Opublikowane w: Faraday Discussions, Numer 221, 2020, Strona(/y) 219-244, ISSN 1359-6640
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c9fd00072k

Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States

Autorzy: Thierry Tran, Javier Segarra-Martí, Michael J. Bearpark, Michael A. Robb
Opublikowane w: The Journal of Physical Chemistry A, Numer 123/25, 2019, Strona(/y) 5223-5230, ISSN 1089-5639
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpca.9b03715

Quantum chemistry of the excited state: recent trends in methods developments and applications

Autorzy: Miriam Navarrete-Miguel, Javier Segarra-Martí, Antonio Francés-Monerris, Angelo Giussani, Pooria Farahani, Bo-Wen Ding, Antonio Monari, Ya-Jun Liu, Daniel Roca-Sanjuán
Opublikowane w: Photochemistry - Volume 46, Numer 46, 2018, Strona(/y) 28-77, ISBN 978-1-78801-336-9
Wydawca: Royal Society of Chemistry
DOI: 10.1039/9781788013598-00028

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