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Molecules | Free Full-Text | A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
Artifact of Gaussian basis-set-based density. The exchange-correlation... | Download Scientific Diagram
Basis Set Exchange: A Community Database for Computational Sciences | Journal of Chemical Information and Modeling
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Basis set error, relative to def2-QZVP, for the def2-TZVP, decontracted... | Download Scientific Diagram
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Basis Set Exchange: A Community Database for Computational Sciences | Journal of Chemical Information and Modeling
Molecules | Free Full-Text | A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
Lecture 8 Gaussian basis sets CHEM6085: Density Functional Theory