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Physical Chemistry Chemical Physics : PCCP|October 7, 2016
QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effectRomain Berraud-Pache, Isabelle NavizetThe Journal of Physical Chemistry. B|April 17, 2018
QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies through a Superoxide IonRomain Berraud-Pache, Roland Lindh, Isabelle NavizetFrontiers in Chemistry|May 3, 2018
Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent SystemsRomain Berraud-Pache, Cristina Garcia-Iriepa, Isabelle NavizetJournal of Chemical Theory and Computation|November 26, 2019
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster MethodRomain Berraud-Pache, Frank Neese, Giovanni Bistoni, et al.The Journal of Physical Chemistry Letters|August 7, 2019
Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function ApproachRomain Berraud-Pache, Frank Neese, Giovanni Bistoni, et al.The Journal of Physical Chemistry. B|September 15, 2020
Accurate Computation of the Absorption Spectrum of Chlorophyll <i>a</i> with Pair Natural Orbital Coupled Cluster MethodsAbhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, et al.ACS Chemical Neuroscience|September 6, 2024
Reversible Control of Native GluN2B-Containing NMDA Receptors with Visible LightChloé Geoffroy, Romain Berraud-Pache, Nicolas Chéron, et al.Chemical Science|June 24, 2021
Redesigning donor-acceptor Stenhouse adduct photoswitches through a joint experimental and computational studyRomain Berraud-Pache, Eduardo Santamaría-Aranda, Bernardo de Souza, et al.Journal of Chemical Theory and Computation|March 7, 2018
Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in WaterCristina García-Iriepa, Pauline Gosset, Romain Berraud-Pache, et al.Life Science Alliance|November 21, 2018
Beetle luciferases with naturally red- and blue-shifted emissionCésar Carrasco-López, Juliana C Ferreira, Nathan M Lui, et al.Pageof 2