Concepedia

Quantitative structure–activity relationship for the oxidation of aromatic organic contaminants in water by TAML/H2O2

Hanrui Su, Chunyang Yu, Yongfeng Zhou, Lidong Gong, Qilin Li, Pedro J. J. Alvarez, Mingce Long

Water Research · 2018 · 86 citations · 47 references

DOI

Concepts

References

47

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

, , +16

The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

Weitao Yang, Wilfried J. Mortier · Journal of the American Chemical Society · 1986 · 1.9K citations

, , +6

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies

Chang‐Guo Zhan, Jeffrey A. Nichols, David A. Dixon · The Journal of Physical Chemistry A · 2003 · 1.5K citations

, , +17

Tinker 8: Software Tools for Molecular Design

Joshua A. Rackers, Zhi Wang, Chao Lü et al. · Journal of Chemical Theory and Computation · 2018 · 1.2K citations · Full text

, , +17

Selective Degradation of Organic Pollutants Using an Efficient Metal-Free Catalyst Derived from Carbonized Polypyrrole via Peroxymonosulfate Activation

Peidong Hu, Hanrui Su, Zhenyu Chen et al. · Environmental Science & Technology · 2017 · 704 citations

, , +17