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Predicting Thermodynamic Properties of PBXTHs with New Quantum Topological Indexes
Novel group quantitative structure-property relationship (QSPR) models on the thermodynamic properties of PBXTHs were presented, by the multiple linear regression (MLR) analysis method. Four thermodynamic properties were studied: the entropy (S(θ)), the standard enthalpy of formation (Δ(f)H(θ)), the...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4762774/ https://www.ncbi.nlm.nih.gov/pubmed/26900689 http://dx.doi.org/10.1371/journal.pone.0147126 |