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...

Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using abinitio phonons from density functional theory (DFT). A measurement at 20 K illustrates the effect of the...

The relative stability of the normal and tautomeric forms of adenine and thymine has been formerly analysed with semi-empirical and abinitio methods [1—2]. In the same way we have now calculated the charge distribution of several excited states in order to determine the intramolecular charge transfer involved in the tautomerization process. Moreover, we have obtained the direction of the polari...

In a quasiclassical framework, we formulate the double energy differential cross sections for the Coulomb four-body problem. We present results for the triple photoionization from the Li ground state at 220.5, 115, 50 and 3.8 eV excess energies. With the energy of one of the electrons kept fixed, the double energy differential cross sections at 220.5 and 115 excess energies are found to be of “...

This chapter introduces calculational methods that can be used for abinitio structure prediction in multicomponent alloy systems, with an emphasis on concepts relevant to high entropy alloys. Specifically we will address density functional-based calculation of T=0K total energies. Extension to finite temperature will use cluster expansions for the energies to obtain the chemical substitution en...