User profiles for R. Berraud-Pache

Romain Berraud-Pache

Maître de conférences, LAMS, Sorbonne Université
Verified email at sorbonne-universite.fr
Cited by 770

Chemi-and bioluminescence of cyclic peroxides

…, BW Ding, S Schramm, R Berraud-Pache… - Chemical …, 2018 - ACS Publications
Bioluminescence is a phenomenon that has fascinated mankind for centuries. Today the
phenomenon and its sibling, chemiluminescence, have impacted society with a number of …

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

…, R Berraud-Pache, F Neese, R Izsák… - The Journal of …, 2020 - ACS Publications
The ability to accurately compute low-energy excited states of chlorophylls is critically
important for understanding the vital roles they play in light harvesting, energy transfer, and …

Unveiling the photophysical properties of boron-dipyrromethene dyes using a new accurate excited state coupled cluster method

R Berraud-Pache, F Neese, G Bistoni… - Journal of chemical …, 2019 - ACS Publications
… in which r i a is an amplitude belonging to the STEOM right solution. This difference density
… and STEOM-CPCM values, leading to a high R 2 of 0.983 as seen in Table 2 and in Figure 4. …

Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand

F Pointillart, J Jung, R Berraud-Pache… - Inorganic …, 2015 - ACS Publications
R int 0.1820 … and best fit (full black line) (R 2 = 0.9987 for L, R 2 = 0.9989 for 2, and R 2 =
0.9985 for 4). (… Romain Berraud-Pache - Institut des Sciences Chimiques de Rennes UMR 6226 …

Computational design of near-infrared fluorescent organic dyes using an accurate new wave function approach

R Berraud-Pache, F Neese, G Bistoni… - The Journal of Physical …, 2019 - ACS Publications
The extensive research focusing on fluorescent organic dyes for bioimaging has made this in
vivo method available for a diverse range of applications. One way to enhance this method …

[HTML][HTML] Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational study

R Berraud-Pache, E Santamaría-Aranda… - Chemical …, 2021 - pubs.rsc.org
Many studies have recently explored a new class of reversible photoswitching compounds
named Donor–Acceptor Stenhouse Adducts (DASAs). Upon light irradiation, these systems …

Simulation and analysis of the spectroscopic properties of oxyluciferin and its analogues in water

…, P Gosset, R Berraud-Pache… - Journal of Chemical …, 2018 - ACS Publications
Firefly bioluminescence is a quite efficient process largely used for numerous applications.
However, some fundamental photochemical properties of the light emitter are still to be …

Biocomposites based on bentonite and lecithin: An experimental approach supported by molecular dynamics

Q Li, R Berraud-Pache, Y Yang, C Souprayen… - Applied Clay …, 2023 - Elsevier
Natural bio-surfactants have recently attracted much more attention due to their biodegradability
and biocompatibility. They are often associated with clay materials to synthesize …

Beetle luciferases with naturally red-and blue-shifted emission

…, NM Lui, S Schramm, R Berraud-Pache… - Life science …, 2018 - life-science-alliance.org
… The final models presented good stereochemistry parameters and R and R free values.
Also, … I Navizet and R Berraud-Pache acknowledge support from the Agence Nationale de la …

Intercalation of lecithin into bentonite: pH dependence and intercalation mechanism

Q Li, R Berraud-Pache, C Souprayen, M Jaber - Applied Clay Science, 2023 - Elsevier
A series of organoclays were synthesized by modifying bentonite with lecithin under two pH
reaction solutions, one acid and one basic. The products prepared using various surfactant …