Supplementary Information for 2,5-Dichlorofuran Photochemical Dynamics Study

Simona Djumayska authored a 2.6 MB PDF containing supplementary information for a study on photochemical pathways. The document includes detailed methodology and additional figures related to data analysis, Ultrafast Electron Diffraction (UED), and pair distribution function signals. It was last updated on May 22, 2026, and is shared under a CC-BY-4.0 license.

Use Cases

• Implementing the Kabsch algorithm for molecular alignment based on the detailed description provided.
• Calculating pair distribution functions from diffraction data using the formula included in the document.
• Validating surface hopping dynamics simulations by comparing results with the provided UED signals.
• Reproducing figures and analysis from the primary study for educational or verification purposes.

Strengths

• Document is 2.6 MB, indicating a detailed supplementary file.
• License is CC-BY-4.0, permitting open sharing and adaptation.
• Includes specific methodological details on the Kabsch algorithm and pair distribution function formula.

Limitations

• Description metadata is limited; actual data quality requires manual inspection after download.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare, authored by Simona Djumayska.

Collection Method

Likely generated as supplementary material for a computational chemistry research paper.

Freshness

Last updated 2026-05-22 12:06:13; freshness should be verified.