Buscar
Mostrando ítems 1-10 de 2834
Current trends in molecular modeling methods applied to the study of cyclodextrin complexes
(Springer, 2018-02)
In this review the authors present an overview of different molecular modeling campaigns dealing with the study and characterization of cyclodextrins (CDs) inclusion complexes with applicability to diverse biomedical and ...
Controlled rheology of polypropylene: Modeling of molecular weight distributions
(John Wiley & Sons Inc, 2003-05)
A mathematical model for the controlled degradation of polypropylene is presented in this article. A previous model of this process was extended to predict the whole molecular weight distribution of the modified resin. ...
Methodology for predicting oily mixture properties in the mathematical modeling of molecular distillation
(Instituto de la Grasa, 2017-04)
A methodology for predicting the thermodynamic and transport properties of a multi-component oily mixture, in which the different mixture components are grouped into a small number of pseudo components is shown. This ...
Modeling and optimization of a high-pressure ethylene polymerization reactor using gPROMS
(Pergamon-Elsevier Science Ltd, 2008-03)
A gPROMS implementation of a comprehensive steady-state model of the high-pressure polymerization of ethylene in a tubular reactor is presented. Model outputs along the reactor length include the complete molecular weight ...
Interaction of the antimicrobial peptide ∆M3 with the Staphylococcus aureus membrane and molecular models
(ElsevierGrupo de Bioquímica Estructural de MacromoléculasÁmsterdam, Países Bajos, 2023)
Mathematical modeling of reverse atom transfer radical polymerization in miniemulsion
(Elsevier, 2018-04-01)
In this work, we study the reverse atom transfer radical polymerization in miniemulsion using a water-soluble initiator. This study is motivated by the technological advantages of performing polymerizations in dispersed ...
Molecular modeling of responsive polymer films
(John Wiley & Sons Inc, 2010-08)
V-shape" molecular configuration of wax esters of jojoba oil in a Langmuir film model
(American Chemical Society, 2018-05-31)
The aim of the present work was to understand the interfacial properties of a complex mixture of wax esters (WEs) obtained from Jojoba oil (JO). Previously, on the basis of molecular area measurements, a hairpin structure ...
MoDeSuS: A machine learning tool for selection of molecular descriptors in qsar studies applied to molecular informatics
(Hindawi Publishing Corporation, 2019-02)
The selection of the most relevant molecular descriptors to describe a target variable in the context of QSAR (Quantitative Structure-Activity Relationship) modelling is a challenging combinatorial optimization problem. ...