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Accurate evaluation of combustion enthalpy by ab-initio computations
Accurate evaluation of combustion enthalpy is of high scientific and industrial importance. Although ab-initio computation of the heat of reactions is one of the promising and well-established approaches in computational chemistry, reliable and precise computation of heat of combustion reactions by...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8987062/ https://www.ncbi.nlm.nih.gov/pubmed/35388104 http://dx.doi.org/10.1038/s41598-022-09844-z |