نتایج جستجو برای: polarizable electrodes the experimental set
تعداد نتایج: 16175748 فیلتر نتایج به سال:
there is less published research about how teachers in efl contexts respond to students who are relatively less mature and less competent l2 writers. while writing researchers have examined various issues concerning peer and teacher response in writing-oriented classes, little research has centered on the effect of collaborative tasks particularly dictogloss on writing skills. output collaborat...
a one dimensional dynamic model for a riser reactor in a fluidized bed catalytic cracking unit (fccu) for gasoil feed has been developed in two distinct conditions, one for industrial fccu and another for fccu using various frequencies of microwave energy spaced at the height of the riser reactor (fccu-mw). in addition, in order to increase the accuracy of component and bulk diffusion, instanta...
We determine the second and third virial coefficients B2 and B3 for the Gaussian charge polarizable model (GCPM) as a function of temperature over the range 210-723 K. The overlap sampling implementation of Mayer sampling molecular simulation is applied to calculate the values, obtaining results to a precision that ranges from 0.1% for B2 to an average of 1% for B3. These calculated values comp...
in fact, this study focused on the following questions: 1. is there any difference between the effect of functional/notional approach and the structural approaches to language teaching on the proficiency test of efl learners? 2. can a rather innovative language test referred to as "functional test" ge devised so so to measure the proficiency test of efl learners, and thus be as much reliable an...
from its emergence till present time marxist principles has undergone great changes since their promulgation by marx. many theorists and thinkers set at rectifying marxist tenets and introducing those of their own while others advocated its main concepts and attempted at improving them. among marxist philosophers who had an intensive study of marxs ideology, is louis althusser whose reflections...
The charge distribution of halogen atoms on organochlorine compounds can be highly anisotropic and even display a so-called σ-hole, which leads to strong halogen bonds with electron donors. In this paper, we have systematically investigated a series of chloromethanes with one to four chloro substituents using a polarizable multipole-based molecular mechanics model. The atomic multipoles accurat...
A dipole polarizable potential for reduced and doped CeO[subscript 2] obtained from first principles
A dipole polarizable potential for reduced and doped CeO2 obtained from first principles. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO2. We use a dipole-polarizable potential (DIPPIM) and optimize its para...
We show that post-synthetic small-molecule intercalation can significantly reduce the electronic confinement of 2D hybrid perovskites. Using a combined experimental and theoretical approach, we explain structural, optical, and electronic effects of intercalating highly polarizable molecules in layered perovskites designed to stabilize the intercalants. Polarizable molecules in the organic layer...
A polarizable water model, SWM6, was developed and optimized for liquid phase simulations under ambient conditions. Building upon the previously developed SWM4-NDP model, additional sites representing oxygen lone-pairs were introduced. The geometry of the sites is assumed to be rigid. Considering the large number of adjustable parameters, simulated annealing together with polynomial fitting was...
A dielectric continuum theory for the solvation of a polar molecule in a polar, polarizable solvent is tested using computer simulations of formaldehyde in water. Many classes of experiments, for example those which measure solvent-shifted vertical transition energies or electron transfer rates, require an explicit consideration of the solvent electronic polarization. Due to the computational c...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید