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71.
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由于原子簇化合物在催化,生物活性,功能材料等方面所呈现的重要性,使其成为无机和物理化学最重要的研究领域之一。文章中和谱学方法对一些具有混配体的过渡金属簇合物的结构及其两者之间的关系进行. 相似文献
74.
The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules
which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the
results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO
for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest.
Project supported by the National Natural Science Foundation of China. 相似文献
75.
Huai-Dong Cao 《Advances in Mathematics》2007,211(2):794-818
In this paper we prove a compactness result for compact Kähler Ricci gradient shrinking solitons. If (Mi,gi) is a sequence of Kähler Ricci solitons of real dimension n?4, whose curvatures have uniformly bounded Ln/2 norms, whose Ricci curvatures are uniformly bounded from below and μ(gi,1/2)?A (where μ is Perelman's functional), there is a subsequence (Mi,gi) converging to a compact orbifold (M∞,g∞) with finitely many isolated singularities, where g∞ is a Kähler Ricci soliton metric in an orbifold sense (satisfies a soliton equation away from singular points and smoothly extends in some gauge to a metric satisfying Kähler Ricci soliton equation in a lifting around singular points). 相似文献
76.
A semiclassical reactive flux method for the calculation of condensed phase activated rate constants
A semi classical reactive flux algorithm for calculating thermally activated rate constants is presented which is based on a semi-classical transition state theory due to Chapman, Garrett and Miller [J. Chem. Phys. 63 (1975) 2710]. This reactive flux technique, when combined with the semiclassical TST, enables one to describe dynamical recrossings of the transition state on the same footing as tunneling effects. Most importantly, the method is readily applied to nonlinear multidimensional systems over a wide range of temperatures. It will be shown that the method works very well for a variety of existing models. 相似文献
77.
78.
Three-dimensional (3-D) ZnO random-wall nanostructures and one-dimensional (1-D) ZnO nanorods were prepared on silicon substrates by a simple solid-vapour phase thermal sublimation technique. Optical pumped random lasing has been observed in the ZnO random-wall arrays with a threshold intensity of 0.38 MW/cm2 in the emission wavelength from 380 to 395 nm. The optical gain was attributed to the closed-loop scattering and light amplification of the ZnO random-wall. The experimental result suggests that the morphology of nanostructure is the key factor to effect random lasing. 相似文献
79.
80.
Cory J. Hill Baohua Yang Rui Q. Yang 《Physica E: Low-dimensional Systems and Nanostructures》2004,20(3-4):486
Mid-IR type-II interband cascade lasers were demonstrated in pulsed mode at temperatures up to 325 K and in continuous mode up to 200 K. At 80 K, the threshold current density was 8.9 A/cm2 and a continuous wave output power of 140 mW/facet was obtained. 相似文献