Ionization potential
Definition
Ionization potential is the average energy that ionizing radiation loses when making a pure substance a pair of ions.
Estimation Method
- MolInstincts: The Property value is estimated by the combination of fundamental thermodynamic theories, modern modeling approaches, QSPR (quantitative structure-property relationships) methods, and ANN (Artificial Neural Network) with over fitting prevention algorithm, utilizing the quantum chemical calculations results and molecular descriptors. The estimated value is finally determined after manual inspection.
Supplementary Explanation on Accuracy
Comment Meaning of Comment ≤ 2 kcal/mol 0 kcal/mol ≤ abs error ≤ 2 kcal/mol ≤ 6 kcal/mol 2 kcal/mol < abs error ≤ 6 kcal/mol ≤ 10 kcal/mol 6 kcal/mol < abs error ≤ 10 kcal/mol ≤ 15 kcal/mol 10 kcal/mol < abs error ≤ 15 kcal/mol > 15 kcal/mol abs error > 15 kcal/mol Exp. Data Unavailable Experimental Data are Unavailable Where absolute error means the absolute value of (experimental value)-(calculated value).