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Journal of Chemical Theory and Computation
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November 4, 2025
Fully-Optimized Parameters for Mixed Ramp-Gaussian Basis Sets
Robbie T Ireland, Samuel J Pitman, Laura K McKemmish
The Journal of Physical Chemistry. A
|
November 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, et al.
The Journal of Physical Chemistry. A
|
August 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, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 4, 2025
Fully-Optimized Parameters for Mixed Ramp-Gaussian Basis Sets
Robbie T Ireland, Samuel J Pitman, Laura K McKemmish
The Journal of Physical Chemistry. A
|
November 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, et al.
The Journal of Physical Chemistry. A
|
August 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, et al.
Page
of 1