Luis Manuel Frutos

<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

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry

Luis Manuel Frutos, Tadeusz Andruniów, Fabrizio Santoro et al. · Proceedings of the National Academy of Sciences · 2007 · 283 citations · Full text

Excited-state Time Evolution, Engineering, Localized Excited State +22

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Samer Gozem, Federico Melaccio, Alessio Valentini et al. · Journal of Chemical Theory and Computation · 2014 · 212 citations

Localized Excited State, Engineering, Geometry +20

The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects

Igor Schapiro, Mikhail N. Ryazantsev, Luis Manuel Frutos et al. · Journal of the American Chemical Society · 2011 · 172 citations

Engineering, Molecular Biology, Bathorhodopsin Are Modulated +19