نتایج جستجو برای: exchange energy
تعداد نتایج: 838939 فیلتر نتایج به سال:
We study heat transport in a class of stochastic energy exchange systems that characterize the interactions of networks of locally trapped hard spheres under the assumption that neighbouring particles undergo rare binary collisions. Our results provide an extension to three-dimensional dynamics of previous ones applying to the dynamics of confined two-dimensional hard disks [Gaspard P & Gilbert...
For the traditional low Tc superconductors, the superconducting condensation energy is proportional to the change in energy of the ionic lattice between the normal and superconducting state, providing a clear link between pairing and the electron–ion interaction. Here, for the t-J model, we discuss an analogous relationship between the superconducting condensation energy and the change in the e...
We approximate the exchange-correlation energy of density functional theory as a controlled extrapolation from the slowly varying limit. While generalized gradient approximations (GGA’s) require only the local density and its first gradient as input, our meta-GGA also requires the orbital kinetic energy density. Its exchange energy component recovers the fourth-order gradient expansion, while i...
در این تحقیق اثر الکترونگاتیوی برای استخلاف های f, cl, no2 , cf3 برروی آروماتیسیته مولکول بنزن مورد مطالعه قرار گرفته است. nics, ase, homa, homo-lumo energy gapsشاخص هایی هستند که برای نمایش تاثیر استخلاف ها به کار برده می¬شوند.علاوه بر این الکترون های انتقالی توسط پیوند سیگما وپای نیز برای همه مولکول های استخلاف شده مورد نظر محاسبه شده¬اند.نتایج بدست آمده برای این روش ها با یکدیگر متفاوت است.ب...
The ability of recombinant human Hb (rHb1.1), which is being developed as an oxygen therapeutic, to support metabolism was measured by in vivo 31P-NMR surface coil spectroscopy of the rat abdomen in control animals and in animals subjected to isovolemic exchange transfusion to hematocrit of <3% with human serum albumin or 5 g/dl rHb1.1. No significant changes in metabolite levels were observed ...
Facing future users - the challenge of transforming a traditional online database into a Web service
The Energy Technology Data Exchange (ETDE) agreement included 19 member countries spanning four continents: Japan and the Republic of Korea; Belgium, Denmark, Finland, France, Germany, Italy, The Netherlands, Norway, Poland, Spain, Sweden, Switzerland, and the United Kingdom; Canada, Mexico, and the United States; and Brazil. The participating countries share their nationally published energy r...
BACKGROUND Native state hydrogen/deuterium exchange studies on cytochrome c and RNase H revealed the presence of excited states with partially formed native structure. We set out to determine whether such excited states are populated for a very small and simple protein, the IgG-binding domain of peptostreptococcal protein L. RESULTS Hydrogen/deuterium exchange data on protein L in 0-1.2 M gua...
A homeothermic animal maintains a balance between its heat production and the physical processes of heat exchange with its environment by regulating its physiology and behavior. The complexity of heat transfer is beyond comprehension, but the characteristics of heat transfer for different animals in different habitats can be determined through analytical procedures. For example, evaporation los...
In view of further application to the study of molecular and atomic sticking on dust particles, we investigated the capability of the ‘‘freeze-and-thaw’’ cycle of the Kohn–Sham equations with constrained electron density ~KSCED! to describe potential energy surfaces of weak van der Waals complexes. We report the results obtained for C6H6 ̄X ~X5O2, N2, and CO! as test cases. In the KSCED formalis...
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