نتایج جستجو برای: abinitio study
تعداد نتایج: 3968437 فیلتر نتایج به سال:
objective(s):the mechanism of hypothermia action of acetaminophen (apap) remains unclear even 125 years after its synthesis. acetaminophen produces hypothermia. the mechanism of this reduction in core body temperature is not clear but evidence shows that it is not dependent on opioid and cannabinoid receptors. because of strong documents about the roles of gaba and benzodiazepine receptors in h...
In this paper, we present our ab-initio study on energy configurations, minimum energy path (MEP), and migration energy for neutral indium diffusion in a uniaxial and biaxial tensile strained {100} silicon layer. Our abinitio calculation of the electronic structure allowed us to figure out transient atomistic configurations during the indium diffusion in strained silicon. We found that the lowe...
This paper discusses basics of high performance computing on the example of the Latvian SuperCluster (LASC), installed at the Institute of Solid State Physics of the University of Latvia. The application of LASC to abinitio simulations of x-ray absorption spectra from nanoparticles is considered as a particular case. [
Objective(s):The mechanism of hypothermia action of acetaminophen (APAP) remains unclear even 125 years after its synthesis. Acetaminophen produces hypothermia. The mechanism of this reduction in core body temperature is not clear but evidence shows that it is not dependent on opioid and cannabinoid receptors. Because of strong documents about the roles of GABA and benzodiazepine receptors in h...
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