Rafael C. Couto

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

Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering

Vinícius Vaz da Cruz, Faris Gel’mukhanov, Sebastian Eckert et al. · Nature Communications · 2019 · 85 citations · Full text

Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

Mickaël G. Delcey, Lasse Kragh Sørensen, Morgane Vacher et al. · Journal of Computational Chemistry · 2019 · 80 citations · Full text

Localized Excited State, Engineering, Computational Chemistry +16

Selective gating to vibrational modes through resonant X-ray scattering

Rafael C. Couto, Vinícius Vaz da Cruz, Emelie Ertan et al. · Nature Communications · 2017 · 63 citations · Full text

Ultrafast dissociation features in RIXS spectra of the water molecule

Emelie Ertan, Viktoriia Savchenko, Nina Ignatova et al. · Physical Chemistry Chemical Physics · 2018 · 44 citations · Full text

Localized Excited State, Engineering, Gas Phase Water +19