تقرير
Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers
| العنوان: | Quantum Calculations on a New CCSD(T) Machine-Learned Potential Energy Surface Reveal the Leaky Nature of Gas-Phase Trans and Gauche Ethanol Conformers |
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| المؤلفون: | Apurba Nandi, Riccardo Conte, Chen Qu, Paul L. Houston, Qi Yu, Joel M. Bowman |
| المصدر: | Journal of Chemical Theory and Computation. 18(9):5527-5538 |
| بيانات النشر: | United States: NASA Center for Aerospace Information (CASI), 2022. |
| سنة النشر: | 2022 |
| نوع الوثيقة: | Report |
| اللغة: | English |
| تدمد: | 1549-9626 1549-9618 |
| DOI: | 10.1021/acs.jctc.2c00760 |
| URL الوصول: | https://ntrs.nasa.gov/citations/69381315257225 |
| ملاحظات: | PSR, Azione A Linea 2 - Fondi Giovani Ricercatori 911NF-14-1-0471 80NSSC20K0360 |
| رقم الأكسشن: | edsnas.69381315257225 |
| قاعدة البيانات: | NASA Technical Reports |
Find this issue from the American Chemical Society | تدمد: | 15499626 15499618 |
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| DOI: | 10.1021/acs.jctc.2c00760 |