PES HCN and CO: Potential Energy Surface for the HCN and CO System

A potential energy surface dataset for the HCN and CO molecular system, published on figshare by Francesca Tonolo. The dataset is 18.3 MB in size and was last updated on May 22, 2026. Its specific row count and column details are not provided in the metadata.

Use Cases

• Training a machine learning potential for molecular dynamics simulations (inferred from domain, verify after download)
• Benchmarking ab initio calculation methods for small molecule interactions (inferred from domain, verify after download)
• Studying reaction pathways and transition states between HCN and CO (inferred from domain, verify after download)

Strengths

• Published on figshare with a specific file size of 18.3 MB.
• Has a clear attribution to author Francesca Tonolo.
• Released under the CC-BY-NC-4.0 license, permitting non-commercial reuse with attribution.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

figshare

Freshness

Last updated 2026-05-22 12:07:57; freshness should be verified.