Source Data for the publication: "How Orange Carotenoid Protein controls the excited state dynamics of Canthaxanthin"

DOI10.5281/zenodo.8300809Zenodo8300809MaRDI QIDQ6722355FDOQ6722355

Dataset published at Zenodo repository.

Lorenzo Cupellini, Benedetta Mennucci, Amanda Arcidiacono, Davide Accomasso

Publication date: 30 August 2023

Copyright license: Creative Commons Attribution 4.0 International

Description

This dataset contains the raw data for the results shown in the paper, in plain text format. The first line of each file describes the content of the columns. Contents: ocp_adiabatic_energies.txt - Energies of the adiabatic states (A.U.) for all SH trajectories of CAN in OCP ocp_bla.txt - Values of the BLA coordinate (Angstrom) for all SH trajectories of CAN in OCP ocp_dihedrals.txt - Values of the CAN dihedrals ) degrees for all SH trajectories of CAN in OCP ocp_populations.txt - Calculated adiabatic populations of CAN in OCP vac_adiabatic_energies.txt - Energies of the adiabatic states (A.U.) for all SH trajectories of CAN in gas phase vac_bla.txt - Values of the BLA coordinate (Angstrom) for all SH trajectories of CAN in gas phase vac_dihedrals.txt - Values of the CAN dihedrals ) degrees for all SH trajectories of CAN in gas phase vac_populations.txt - Calculated adiabatic populations of CAN in gas phase

This page was built for dataset: Source Data for the publication: "How Orange Carotenoid Protein controls the excited state dynamics of Canthaxanthin"