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1.
We investigate superconducting pair correlations in the attractive Hubbard model on a finite square lattice. Our aim is to understand the pronounced size dependence which they display in the weak and intermediate coupling regimes. These size effects originate from the electronic shell structure of finite systems and severely complicate a reliable extrapolation of numerical simulation data from small systems to the thermodynamic limit. To analyze the size effects in detail, we use the BCS approximation, as well as a particle number conserving modification of it and compare the results with those of quantum Monte Carlo simulations. As an application, we explore the possibility of reducing the shell effects in simulation data by changing the shape of the system and the imposed boundary conditions and by making use of the size dependence of corresponding BCS data. 相似文献
2.
The reactivity of hydroxy-indoles under the conditions of the Mannich-reaction has been studied. The electrophilic side-chain enters in each case in a position ortho to the phenolic group. 4-Hydroxy-indole is substituted in the 5-, 5-hydroxy-indole in the 4-, 6-hydroxy-indole in the 7-, and 7-hydroxy-indole probably in the 6-position. The structures of the Mannich bases from 4-, 5- and 6-hydroxy-indole have been confirmed by comparison of the hydroxy-methyl-indoles obtained by reductive desamination with hydroxy-methyl-indoles prepared by unambiguous total synthesis. 相似文献
3.
Zanoun A Reguig FH Belhakem M Krallafa A Belaidi A Bormann D Vergoten G 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(1-3):547-551
Structural and vibrational properties of the CO stretching bond of cholesteryl acetate and related steroids are investigated theoretically and by Micro-Raman spectroscopy. In this work, an analysis of the CO stretching mode for the cholesteryl acetate is presented. Experimental results in crystalline, isotropic liquid and liquid crystal phases are compared with quantum chemical calculations using semi empirical hamiltonians (AM1 and PM3) and the density functional theory. The calculations were performed on isolated molecules with different conformations as found on previous investigations giving strong evidence of their existence. Calculated frequencies are found to be very close to experiments and suggest the possible existence of the predicted conformers. 相似文献
4.
Geometry‐Assisted Three‐Dimensional Superlocalization Imaging of Single‐Molecule Catalysis on Modular Multilayer Nanocatalysts 下载免费PDF全文
Dr. Rui Han Dr. Ji Won Ha Dr. Chaoxian Xiao Yuchen Pei Zhiyuan Qi Bin Dong Nicholas L. Bormann Prof. Dr. Wenyu Huang Prof. Dr. Ning Fang 《Angewandte Chemie (International ed. in English)》2014,53(47):12865-12869
To establish the structure–catalytic property relationships of heterogeneous catalysts, a detailed characterization of the three‐dimensional (3D) distribution of active sites on a single catalyst is essential. Single‐particle catalysis of a modular multilayer catalytic platform that consists of a solid silica core, a mesoporous silica shell, and uniformly distributed Pt nanoparticles sandwiched in between these layers is presented. The first 3D high‐resolution super‐localization imaging of single fluorescent molecules produced at active sites on the core‐shell model nanocatalysts is demonstrated. The 3D mapping is aided by the well‐defined geometry and a correlation study in scanning electron microscopy and total internal reflection fluorescence and scattering microscopy. This approach can be generalized to study other nano‐ and mesoscale structures. 相似文献
5.
K. Bormann 《Fresenius' Journal of Analytical Chemistry》1967,225(3):442
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6.
K. Bormann 《Fresenius' Journal of Analytical Chemistry》1967,227(2):146
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7.
8.
K. Bormann 《Fresenius' Journal of Analytical Chemistry》1967,228(4):298
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10.
K. Bormann 《Fresenius' Journal of Analytical Chemistry》1967,230(6):456
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