تقرير
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
| العنوان: | Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands |
|---|---|
| المؤلفون: | Apurba Nandi, Gabriel Laude, Subodh S. Khire, Nalini D. Gurav, Chen Qu, Riccardo Conte, Qi Yu, Shuhang Li, Paul L. Houston, Shridhar R. Gadre, Jeremy O. Richardson, Francesco A. Evangelista, Joel M. Bowman |
| المصدر: | Journal of the American Chemical Society. 145(17):9655-9664 |
| بيانات النشر: | United States: NASA Center for Aerospace Information (CASI), 2023. |
| سنة النشر: | 2023 |
| نوع الوثيقة: | Report |
| اللغة: | English |
| تدمد: | 1520-5126 0002-7863 |
| DOI: | 10.1021/jacs.3c00769 |
| URL الوصول: | https://ntrs.nasa.gov/citations/13078647006019 |
| ملاحظات: | 1900532 PSR2021DIP005RCONT 80NSSC20K0360 |
| رقم الأكسشن: | edsnas.13078647006019 |
| قاعدة البيانات: | NASA Technical Reports |
Find this issue from the American Chemical Society | تدمد: | 15205126 00027863 |
|---|---|
| DOI: | 10.1021/jacs.3c00769 |