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Developing descriptors to predict mechanical properties of nanotubes
(2013-04-22)
Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors ...
Developing descriptors to predict mechanical properties of nanotubes
(2013-04-22)
Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors ...
Conformation-independent quantitative structure-property relationships study on water solubility of pesticides
(Academic Press Inc Elsevier Science, 2019-04)
Water solubility is a key physicochemical parameter in pesticide control and regulation, although sometimes its experimental determination is not an easy task. In this study, we present Quantitative Structure-Property ...
Amino acid profiles and quantitative structure-property relationships for malts and beers
(Elsevier Science, 2010-05)
Experimental amino acid concentrations of blonde and black commercial beers, brewed in Argentina, as well as national malts were subjected for the first time to Quantitative Structure-Property Relationships (QSPRs). Thus, ...