The current study developed a rationalized method for the quantification and identification of engineered nanoparticles (ENPs) in wastewaters.
DFT methods rationalize the pathways to the formation of the FeIII-OCl, and ultimately FeIV=O, species and provide indirect evidence for a short-lived FeII-OCl intermediate.
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.
The integration of advanced characterization, mechanical testing, and modeling methods can rationalize heretofore unexplained aspects of these structures.
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.
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.
They agreed that systematization could allow medical students to move away from purely experiential knowledge by "providing a plan, a method" (D1): "The course rationalized and built a method out of what we have been doing on a practical, instinctive basis, and this is helpful, especially for young doctors without experience to avoid reproducing our mistakes" (D9).
