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Molecular orientation in self-assembled multilayers measured by Second Harmonic generation using femtosecond pulses
(Optical Society of America, 2009-06)
We present measurements of the optical second-harmonic generation in self assembled multilayer films of PAZO/PAH polymers with the aim to investigate molecular order in the layer-by-layer architecture. The experiments are ...
Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors
(Springer, 2015)
The three-dimensional quantitative structure-activity relationship (3D QSAR) models have many applications, although the inherent complexity to understand the results coming from 3D-QSAR arises the necessity of new insights ...
Thyroid hormone interactions with dmpc bilayers. A molecular dynamics study
(American Chemical Society, 2009-12)
The structure and dynamics of thyroxine (T4), distal and proximal conformers of 3',3,5-triiodo-L-thyronine (T3d and T3p), and 3,5-diiodo-L- thyronine (T2) upon interaction with DMPC membranes were analyzed by means of ...
Orientation-dependent response of defective Tantalum single crystals
(Elsevier, 2014-05)
Defective Tantalum monocrystals are expected to display a particularly rich behavior when stressed along different directions. Using molecular dynamics simulations, we model Ta monocrystals containing a single spherical ...
Rotinas e Práticas Laboratoriais, Microbiologia e Biologia Molecular.
(Universidade Federal do TocantinsAraguaínaCURSO::ARAGUAÍNA::PRESENCIAL::BACHARELADO::MEDICINA VETERINÁRIAAraguaínaGraduação, 2023)
Molecular kinetics of solid and liquid CHCl3
(Elsevier Science, 2013-09)
We present a detailed analysis of the molecular kinetics of CHCl3 in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular ...
Revealing the electronic and molecular structure of randomly oriented molecules by polarized two-photon spectroscopy
(American Chemical Society - ACSWashington, DC, 2013-05)
In this Letter, we explored the use of polarized two-photon absorption (2PA) spectroscopy, which brings additional information when compared to methods that do not use polarization control, to investigate the electronic ...