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3D-QSAR studies of some tricyclicpiperazinyl derivatives as farnesyltransferase inhibitors were performed by comparative molecular field analysis (CoMFA) and comparative molecular similarity indices (CoMSIA) methods to rationalize the structural requirements responsible for the inhibitory activity of these compounds.
Here we employ quantum chemical methods to rationalize our experimental results on the ZnO:organic superlattices and determine the thermoelectric structure property relationships arising from the nanoscale layer-by-layer engineering of ZnO.
Our previous paper on Ba2In2O5 focused on the dry material and used DFT methods to rationalize the O spectra seen in this system.
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In smart learning environments, we need method to rationalize the way managing the resources.
This work shows how a combined experimental/computational approach can give an accurate interpretion of the structural evolution and vibrational spectra of PPTA under strain, providing an effective method to rationalize structure/properties correlations on the basis of the peculiar intra and intermolecular interactions taking place in the fiber.
Of course Islamophobia is only one of the many methods gun advocates have to rationalize the protection of any and all guns.
- modification of the working conditions to promote staff mobility and greater flexibility in personnel deployment or to rationalize methods of remuneration to bring them more in line with the expected performance.
In this paper we describe the design and methods of a trial aiming to rationalize antibiotic prescribing by decreasing this uncertainty and parental anxiety.
Religion and culture may play role in developing new standards that define "animal welfare" and their humane treatment, and perhaps the future of broader "animal rights," as it has up to now frequently been employed to rationalize their exploitation, method of killing and consumption of food.
'Rational selection' proposes to rationalize therapeutic choices.
Finite element method employing cohesive surfaces was also utilized to rationalize the experimentally observed trends.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com