Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al
| العنوان: | Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al |
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| المؤلفون: | Thomas, Mullan, Lorenzo, Maschio, Peter, Saalfrank, Denis, Usvyat |
| المصدر: | The Journal of chemical physics. 156(7) |
| سنة النشر: | 2022 |
| الوصف: | The quest for "chemical accuracy" is becoming more and more demanded in the field of structure and kinetics of molecules at solid surfaces. In this paper, as an example, we focus on the barrier for hydrogen diffusion on a α-Al |
| تدمد: | 1089-7690 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=pmid________::5d01e398d41cdca7f02e5316458a096f https://pubmed.ncbi.nlm.nih.gov/35183075 |
| رقم الانضمام: | edsair.pmid..........5d01e398d41cdca7f02e5316458a096f |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 10897690 |
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