CORDIS - EU research results

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


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

Author(s): Javier Segarra-Martí, Thierry Tran, Michael J. Bearpark
Published in: Physical Chemistry Chemical Physics, Issue 21/26, 2019, Page(s) 14322-14330, ISSN 1463-9076
Publisher: 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

Author(s): Javier Segarra‐Martí, Thierry Tran, Michael J. Bearpark
Published in: ChemPhotoChem, Issue 3/9, 2019, Page(s) 856-865, ISSN 2367-0932
Publisher: Wiley
DOI: 10.1002/cptc.201900105

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

Author(s): Javier Segarra-Martí, Francesco Segatta, Tristan A. Mackenzie, Artur Nenov, Ivan Rivalta, Michael J. Bearpark, Marco Garavelli
Published in: Faraday Discussions, Issue 221, 2020, Page(s) 219-244, ISSN 1359-6640
Publisher: 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

Author(s): Thierry Tran, Javier Segarra-Martí, Michael J. Bearpark, Michael A. Robb
Published in: The Journal of Physical Chemistry A, Issue 123/25, 2019, Page(s) 5223-5230, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.9b03715

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

Author(s): Miriam Navarrete-Miguel, Javier Segarra-Martí, Antonio Francés-Monerris, Angelo Giussani, Pooria Farahani, Bo-Wen Ding, Antonio Monari, Ya-Jun Liu, Daniel Roca-Sanjuán
Published in: Photochemistry - Volume 46, Issue 46, 2018, Page(s) 28-77, ISBN 978-1-78801-336-9
Publisher: Royal Society of Chemistry
DOI: 10.1039/9781788013598-00028

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