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91.
Alexandru T. Balaban Petru Filip Teodor-Silviu Balaban 《Journal of computational chemistry》1985,6(4):316-329
A new approach is presented for identifying all possible cycles in graphs. Input data are the total numbers of vertices and edges, as well as the vertex adjacencies using arbitrary vertex numbering. A homeomorphically reduced graph (HRG) is constructed by ignoring vertices of degree less than three. The algorithm is based on successive generation of possible edge-combinations in the HRG. If a combination yields a cycle, it is either printed or stored and then finally printed in a list of all possible cycles arranged in the order of increasing ring size. A unique numbering of the cycle is used. The computer program is listed and exemplified. Computing times are given. 相似文献
92.
The IR polarized spectra of gypsum CaSO4·2H2O were recorded at incidence angles of approximately 10 and 16 degrees. Band singlet or doublet was observed for the higher frequency ν3(SO42−) mode of Bu symmetry type, depending on polarization (n or p). A doublet was observed for the lower frequency ν3(SO42−) mode of Bu symmetry type too, irrespectively of the type of polarization. In order to give an explanation for the doublets origin, a model permittivity function was constructed. Quite good agreement exists between the reflectance based on the model permittivity function and the experimentally measured one for the high-frequency doublet. The origin of the lower frequency doublet could not be explained in this way, but may be speculated to result from an Evans type interaction between a combination of a water libration and ν2(SO42−), with the lower frequency ν3(SO42−) mode. 相似文献
93.
94.
New polyazomethines have been synthesized based on polynuclear dihydroxy quinones (5,8-dihydroxy-1,4-naphthoquinone and 1,4-dihydroxyanthraquinone) and siloxane diamines differing by the siloxane sequence length (1,3-bis(3-aminopropyl)tetramethyldisiloxane and α,ω-bis(3-aminopropyl)oligodimethylsiloxane having about 12 siloxane units/sequence). The structures were verified by spectral analyses. Solubility tests, GPC and viscosity measurements were performed. Some properties of the resulted polymers were investigated by thermal (TGA and DSC), electrical, spectral (UV-Vis) and electrochemical (differential pulse voltammetry) methods. 相似文献
95.
The dramatic field enhancement at the extremity of finite chains of strongly coupled gold nanoparticles illuminated under total internal reflection is investigated numerically. We demonstrate that high enhancement factors can be achieved by exploiting the in-plane forward scattering of the particles, with geometries achievable by state-of-the-art lithographic techniques. 相似文献
96.
97.
We present an analytical model of Stokes creeping flows in rectangular cavities. In the model, the fluid normal velocity at the wall is zero, while the fluid tangential velocity at the wall differs from the wall velocity. Numerical work is used to validate some of the ideas generated from this realizable model. 相似文献
98.
Elena Badea Giuseppe Della Gatta Petru Budrugeac 《Journal of Thermal Analysis and Calorimetry》2011,104(2):495-506
Our recent developments concerning the assessment of parchments deterioration using DSC are reported. Measurements performed
on samples in excess water conditions, in static air and gas flow provided qualitative and quantitative information on parchment
ageing and deterioration at microscopic and mesoscopic level, when assembly of fibres/fibrils is weakened, partially and eventually
completely lost, and at molecular level, when triple helix uncoiling occurs. A damage ranking scale based on a large collection
of DSC parameters obtained by investigating artificially aged samples was set up. Deconvolution of the DSC thermal denaturation
peaks in excess water enabled evaluating and discriminating stability of parchments with similar damage levels. Further experimental
evidences such as softening of the crystalline fraction of collagen, thermal-oxidation and collagen gelatinisation were detected
by DSC measurements in gas flow and static air, and related to specific deterioration patterns. DSC measurement of wet samples
provided an objective and reliable method for evaluating parchment shrinkage temperature overcoming the limitations of conventional
methods. 相似文献
99.
Zuzana Hricovíniová Miloš Hricovíni Ladislav Petruš 《Journal of carbohydrate chemistry》2013,32(7):827-836
ABSTRACT 2-C-(Hydroxymethyl)-D-erythrose (2) and 2-C-(hydroxymethyl)-D-threose (4) have been stereospecifically synthesized in one-step by a molybdic acid-catalysed isomerization reaction from respective D-xylulose (1) and D-ribulose (3). In the case of interconversion of 1 to 2, the content of the 2-C-branched chain tetrose in the equilibrium mixture can be doubled if boric acid is present in the reaction mixture in addition to the catalyst. 相似文献
100.