Quantum Mechanics Approaches in Computational Toxicology
Author:
Publisher
Wiley
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/9781119282594.ch2
Reference55 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
4. Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules
5. Ionization potential, electron affinity, electronegativity, hardness, and electron excitation energy: molecular properties from density functional theory orbital energies;Zhan C.‐G.;J. Phys. Chem. A,2003
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3. Making the Case for Quantum Mechanics in Predictive Toxicology─Nearly 100 Years Too Late?;Chemical Research in Toxicology;2023-09-07
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