Laura K McKemmish
9PUBLICATIONS
2CO-AUTHORS
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Publications (9)
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|Nov 04, 2025
Fully-Optimized Parameters for Mixed Ramp-Gaussian Basis Sets.Robbie T Ireland, Samuel J Pitman, Laura K McKemmish
|Aug 29, 2024
Reply to Comment on "Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided".Samuel J Pitman, Alicia K Evans, Robbie T Ireland
|Nov 20, 2023
Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided.Samuel J Pitman, Alicia K Evans, Robbie T Ireland
|Aug 08, 2023
On the specialization of Gaussian basis sets for core-dependent properties.Robbie T Ireland, Laura K McKemmish
|Feb 08, 2023
Model Chemistry Recommendations for Scaled Harmonic Frequency Calculations: A Benchmark Study.Juan C Zapata Trujillo, Laura K McKemmish
|Jun 20, 2022
VIBFREQ1295: A New Database for Vibrational Frequency Calculations.Juan C Zapata Trujillo, Laura K McKemmish
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