Dataset for: Beyond the Spectral Shift: First-Principles Colorimetric Screening of Donor-Acceptor Copolymers as pH-Responsive Chromatic Indicators
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Computational databse for the article Beyond the Spectral Shift: First-Principles Colorimetric Screening of Donor-Acceptor Copolymers as pH-Responsive Chromatic Indicators. The database contains input and output files of DFT and TDDFT simulations performed with ORCA ab initio software. For more details, see README.txt at the root directory. Author and contact person: Athanasios Koliogiorgos
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Zenodo创建时间：
2026-07-09
