Javier Segarra‐Martí

<scp>Molcas</scp> 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson et al. · Journal of Computational Chemistry · 2015 · 1.4K citations · Full text

Modern quantum chemistry with [Open]Molcas

Francesco Aquilante, Jochen Autschbach, Alberto Baiardi et al. · The Journal of Chemical Physics · 2020 · 482 citations · Full text

Magnetic Properties, Chemical Applications, Engineering +9

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 286 citations · Full text

UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in <i>trans</i>-Azobenzene

Artur Nenov, Rocío Borrego‐Varillas, Aurelio Oriana et al. · The Journal of Physical Chemistry Letters · 2018 · 138 citations · Full text

Active Modes, Localized Excited State, Engineering +22

Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy

Lara Martínez‐Fernández, Ana Julieta Pepino, Javier Segarra‐Martí et al. · Journal of the American Chemical Society · 2017 · 94 citations · Full text