Publications of Romain Berraud-Pache

Journal Article (6)

2021
Journal Article
Berraud-Pache, R.; Santamaría-Aranda, E.; de Souza, B.; Bistoni, G.; Neese, F.; Sampedro, D.; Izsák, R.: Redesigning donor–acceptor Stenhouse adduct photoswitches through a joint experimental and computational study. Chemical Science 12 (8), pp. 2916 - 2924 (2021)
2020
Journal Article
Sirohiwal, A.; Berraud-Pache, R.; Neese, F.; Izsák, R.; Pantazis, D. A.: Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods. The Journal of Physical Chemistry B 124 (40), pp. 8761 - 8771 (2020)
Journal Article
Ghosh, S.; Dutta, A. K.; de Souza, B.; Berraud-Pache, R.; Izsák, R.: A new density for transition properties within the similarity transformed equation of motion approach. Molecular Physics 118 (19-20), e1818858 (2020)
Journal Article
Kozma, B.; Berraud-Pache, R.; Tajti, A.; Szalay, P. G.: Potential energy surfaces of charge transfer states. Molecular Physics 118 (19-20), e1776903 (2020)
Journal Article
Berraud-Pache, R.; Neese, F.; Bistoni, G.; Izsák, R.: Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method. Journal of Chemical Theory and Computation 16 (1), pp. 564 - 575 (2020)
2019
Journal Article
Berraud-Pache, R.; Neese, F.; Bistoni, G.; Izsák, R.: Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach. The Journal of Physical Chemistry Letters 10 (17), pp. 4822 - 4828 (2019)
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