Nickel-Mediated Acetic Acid Decomposition with Quantum Tunneling Data

Featuring experimental raw data files and quantum calculations for the Ni+ mediated decomposition of CH3COOH and its perdeuterated isomer. Reaction kinetics were measured at high resolution to reveal the contribution of quantum mechanical tunneling to the measured rates.

Use Cases

• Analyze experimental raw data files to compare reaction kinetics between CH3COOH and its perdeuterated isomer.
• Use quantum calculations to model the contribution of quantum mechanical tunneling to the measured reaction rates.
• Validate high-resolution kinetic models for Ni+ mediated decomposition pathways using the provided raw data.

Strengths

• Data includes both experimental raw data and supporting quantum calculations.
• Focuses on a specific chemical reaction (Ni+ mediated decomposition) with a perdeuterated isomer for comparison.

Limitations

• The dataset structure is undefined, with unknown columns, rows, and file formats.
• Sample data is unavailable, making initial assessment of data quality and format difficult.

Provenance

Source

Texas Data Repository Harvested Dataverse

Collection Method

Experimental measurement and quantum calculations.

Freshness

Last updated on 2026-02-09.