| 标题 |
Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided |
| 网址 | |
| DOI | |
| 其它 |
期刊:The Journal of Physical Chemistry A 作者:Samuel J. Pitman; Alicia K. Evans; Robbie T. Ireland; Felix Lempriere; Laura K. McKemmish 出版日期:2023-11-20 |
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(2025-6-4)