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Li, J. & Haney, P. M. Molecular alignment and Rashba splitting in organometal halide perovskite CH3NH3PbI3 absorbers.
Comstock, M., Senekerimyan, V. & Dantus, M. Ultrafast laser induced molecular alignment and deformation: Experimental evidence from neutral molecules and from fragment ions.
These high values might be produced because of the dipole, molecular alignment and also from the non-covalent interactions.
And we discussed the relationship between molecular alignment and crystalline grain orientation, as well as their contribution to the thermal conductivity of PEO fibers.
Many researches indicate that three main factors have significant impact on polymer fiber's thermal conductivity, which are crystallinity, molecular alignment and crystalline grain orientation of the polymer.
Finally, we build two predictive models via the 3D-QSAR using different molecular alignment and the alignment independent Molecular Interaction Field models.
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This task required the preliminary implementation and validation of the MMFF94(s) force field, upon which the Open3DTOOLS are based, in the C++ layer of the RDKit, followed by the extension of the RDKit API to enable molecular alignment, MIF computation and 3D-QSAR model building.
In a next step SFM and polarization-dependent optical spectroscopy has been applied to investigate the nanofibers' morphology and the relative molecular alignment between p-6P and 6T within the nanofibers, again grown on muscovite mica, in more detail.
Three of its principal features are critical in simulations of strain localization: rate-dependence of plastic flow stress; strain-induced structural rejuvenation, represented by increase of Tool's fictive temperature and leading to pronounced post-yield strain softening; and molecular alignment during extension, giving rise to strain-hardening.
The changes occurring in the material include cooking, gelatinization, denaturation, and molecular alignment resulting in texturization.
Upon thermal treatment the fraction of the crystalline β-phase has decreased and molecular alignment within the crystalline regions has improved.
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