Romain Berraud‐Pache

Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method

Romain Berraud‐Pache, Frank Neese, Giovanni Bistoni et al. · Journal of Chemical Theory and Computation · 2019 · 105 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +19

Accurate Computation of the Absorption Spectrum of Chlorophyll <i>a</i> with Pair Natural Orbital Coupled Cluster Methods

Abhishek Sirohiwal, Romain Berraud‐Pache, Frank Neese et al. · The Journal of Physical Chemistry B · 2020 · 97 citations · Full text

Luminescence and Single-Molecule Magnet Behavior in Lanthanide Complexes Involving a Tetrathiafulvalene-Fused Dipyridophenazine Ligand

Fabrice Pointillart, Julie Jung, Romain Berraud‐Pache et al. · Inorganic Chemistry · 2015 · 94 citations

Engineering, Magnetic Resonance, Molecular Biology +16

Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach

Romain Berraud‐Pache, Frank Neese, Giovanni Bistoni et al. · The Journal of Physical Chemistry Letters · 2019 · 41 citations · Full text

Engineering, Aza-bodipy Dyes, Chemistry +17

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

Cristina García‐Iriepa, Pauline Gosset, Romain Berraud‐Pache et al. · Journal of Chemical Theory and Computation · 2018 · 37 citations · Full text

Excitation Energy Transfer, Organic Chemistry, Chemistry +19