Bands, Beets & Berries: A Quantum Study of Natural Dyes for Solar Cells (Dataset)
收藏DataCite Commons2025-12-11 更新2026-05-07 收录
下载链接：
https://research-portal.st-andrews.ac.uk/en/datasets/3c5cfc91-9e86-42f4-b64c-fd49784f2c8b
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资源简介：
• These files relate to electronic structure calculations using Gaussiano9 software, with Gaussview being compatible for generation of inputs and viewing of outputs.
• The dataset contains input, output and checkpoint files.
• Formats are .cube .txt .gjf .log .chk .fchk .out
• .txt and .log are text files compatible with any text editor
• Other formats are compatible with Gaussian09 and Gaussview, and may be intercompatible with other electronic structure software (specific compatibility cannot be gauranteed).
提供机构：
University of St Andrews
创建时间：
2025-11-17
