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Comment on “Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided”

Montgomery Gray, Paige Bowling, John M. Herbert

2024The Journal of Physical Chemistry A54 citationsDOIOpen Access PDF

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ThermochemistryLibrary scienceState (computer science)BenchmarkingChemistryCitationComputer sciencePhysical chemistryAlgorithmManagementEconomicsAdvanced Chemical Physics StudiesChemical Thermodynamics and Molecular StructureAdvanced Thermodynamics and Statistical Mechanics
Comment on “Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided” | Litcius