Supplementary data as part of the article "Breaking the 1250 nm Barrier: A Computational Approach to Organic Upconversion via Triplet-Triplet Annihilation"

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Jenny G. Vitillo
DOI: 10.5281/zenodo.17574962
Cited by: 0

Abstract

Cartesian coordinates in the *.XYZ format and computed electronic spectra for all the structures optimized at the B3LYP-D3BJ/def2-TZVP as part of the article "Breaking the 1250 nm Barrier: A Computational Approach to Organic Upconversion via Triplet-Triplet Annihilation", ACS Appl. Energy Mater. (2026) (DOI: https://doi.org/10.1021/acsaem.5c04014)

Fields of Study & Subjects

Organic Light-Emitting Diodes Research Luminescence and Fluorescent Materials Luminescence Properties of Advanced Materials

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
31 December 2026
Language
EN