The data for "Nonequilibrium Formation of Dicyanoacetylene (NCCCCN), a Key Precursor to Titan's Aerosols, in Irradiated Cyanogen (NCCN) Ice"
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This is the dataset for the optimized geometries, electronic energies, zero-point vibrational energies, and harmonic vibrational frequencies of all calculated species and transition states in the manuscript "Nonequilibrium Formation of Dicyanoacetylene (NCCCCN), a Key Precursor to Titan’s Aerosols, in Irradiated Cyanogen (NCCN) Ice".
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Zenodo创建时间：
2026-10-29
