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Tetrel Bonds with π-Electrons Acting as Lewis Bases—Theoretical Results and Experimental Evidences
(MDPI, 2018-05-15)
MP2/aug-cc-pVTZ calculations were carried out for the ZFH(3)-B complexes (Z = C, Si, Ge, Sn and Pb; B = C2H2, C2H4, C6H6 and C5H5-; relativistic effects were taken into account for Ge, Sn and Pb elements). These calculations ...
Promotion of self-nucleation with latent Form I nuclei in polybutene-1 and its copolymer
(American Chemical Society, 2018-08-02)
The formation of Form I nuclei of polybutene-1 (PB-1) and its copolymer with polyethylene (PB1-ran-PE) has been studied by means of modified self-nucleation protocols. Even when the self-nucleation temperature was high ...
Influence of chain topology (cyclic versus linear) on the nucleation and isothermal crystallization of poly(L-lactide) and poly(D-lactide)
(American Chemical Society, 2018-02-20)
In this paper, ring closure click chemistry methods have been used to produce cyclic c-PLLA and c-PDLA of a number average molecular weight close to 10 kg/mol. The effects of stereochemistry of the polymer chains and their ...
Crystallization of isodimorphic aliphatic random copolyesters: pseudo-eutectic behavior and double-crystalline materials
(Elservier, 2018-02-28)
Isodimorphic random copolyesters are intriguing polymeric materials that can crystallize in their entire composition range, despite the random distribution of comonomer units along their chains. This behavior stems from ...
Uniaxial and Mixed Orientations of Poly(ethylene oxide) in Nanoporous Alumina Studied by X-ray Pole Figure Analysis
(American Chemical Society, 2018-11-16)
The orientation of polymers under confinement is a basic, yet not fully understood phenomenon. In this work, the texture of poly(ethylene oxide) (PEO) infiltrated in nanoporous anodic alumina oxide (AAO) templates was ...
Predictive kinetics in homogeneous catalysis.
(2018-11-22)
ESta tesis está dedicada al estudio de las reacciones catalíticas en el ámbito de la química teórica. Incluye dos tipos de enfoque computacional hacia la predicción del transcurso de la reacción. El primero es para entender ...
Functionalized mesoporous titania film coatings for bone implants with antibacterial and enhanced osseointegrative properties.
(2018-12-14)
Cada vez hay más cepas bacterianas resistentes a antibióticos y su presencia en entornos médicos supone un riesgo cuando los pacientes son sometidos a una intervención quirúrgica. Cuando una persona es sometida a una cirugía ...
Bioorthogonal photocatalytic activation of metal-based anticancer agents.
(2018-10-26)
En mi tesis, he combinado conceptos sobre catálisis junto con las destacadas propiedades fotofísicas yfotoquímicas de las flavinas para abordar las limitaciones de la fotoquimioterapia con metales. Estaslimitaciones están ...
Novel Biobased Polyamide 410/Polyamide 6/CNT Nanocomposites
(MDPI, 2018-09)
Biobased polyamide 410 (PA410)/multiwall carbon nanotube (CNT) nanocomposites (NCs) were obtained by melt-mixing in a twin screw extruder a Polyamide 6 (PA6)-based masterbatch (with 15 wt % CNT content) with neat PA410. ...
Graphene Based Poly(Vinyl Alcohol) Nanocomposites Prepared by In Situ Green Reduction of Graphene Oxide by Ascorbic Acid: Influence of Graphene Content and Glycerol Plasticizer on Properties
(MDPI, 2018-12-06)
The enhanced properties of polymer nanocomposites as compared with pure polymers are only achieved in the presence of well-dispersed nanofillers and strong interfacial adhesion. In this study, we report the preparation of ...