排序方式: 共有33条查询结果,搜索用时 15 毫秒
1.
Proton spin–lattice relaxation rates (R1 values) have been measured, at 400 MHz, for a number of 2-methyl- and 2,2-dimethyl-substituted 4,6-diamino-1-aryl-1,2-dihydro-S-triazines. These compounds have high barriers to internal rotation about the aryl C? N bond, and exist in solution as mixtures of enantiomeric or diastereomeric rotational isomers. Diastereotopically related 2-methyl groups in enantiomeric rotamers, and 2-methyl and 2-methine protons in diastereomeric rotamers, typically have different relaxation rates. In favourable circumstances this information may be used to identify the individual rotamers. Unequivocal direct identification of rotamers may be obtained from nuclear Overhauser effect difference spectra. 相似文献
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Modeling and analysis of time series are important in applications including economics, engineering, environmental science and social science. Selecting the best time series model with accurate parameters in forecasting is a challenging objective for scientists and academic researchers. Hybrid models combining neural networks and traditional Autoregressive Moving Average (ARMA) models are being used to improve the accuracy of modeling and forecasting time series. Most of the existing time series models are selected by information-theoretic approaches, such as AIC, BIC, and HQ. This paper revisits a model selection technique based on Minimum Message Length (MML) and investigates its use in hybrid time series analysis. MML is a Bayesian information-theoretic approach and has been used in selecting the best ARMA model. We utilize the long short-term memory (LSTM) approach to construct a hybrid ARMA-LSTM model and show that MML performs better than AIC, BIC, and HQ in selecting the model—both in the traditional ARMA models (without LSTM) and with hybrid ARMA-LSTM models. These results held on simulated data and both real-world datasets that we considered.We also develop a simple MML ARIMA model. 相似文献
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Andrews PC Busse M Junk PC Forsyth CM Peiris R 《Chemical communications (Cambridge, England)》2012,48(61):7583-7585
Treatment of Bi(2)O(3) with the acids; S-(+)-10-camphorsulfonic, 2,4,6-mesitylenesulfonic and sulfamic, under sonication at room temperature in water for 2-4 h, results in the formation and subsequent crystallisation of polynuclear bismuth oxido-clusters; [Bi(18)O(12)(OH)(12)(O(3)S-Cam)(18)(H(2)O)(2)], [Bi(38)O(45)(O(3)S-Mes)(24)(H(2)O)(14)] and [Bi(6)O(4)(OH)(4)(O(3)SNH(2))(6)]. 相似文献
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R. L. Hunt M. S. Peiris N. C. Weber 《Journal of Applied Mathematics and Computing》2003,12(1-2):67-79
An approximation for the bias in lag window estimators of the degree of differencing in, fractionally integrated time series models is derived. The expression obtained is compared with the observed bias from simulations for various windows. 相似文献
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A rapid development of time series models and methods addressing volatility in computational finance and econometrics are recently reported in the financial literature. This paper considers doubly stochastic volatility models with GARCH errors. General properties for process mean, variance and kurtosis are derived as these results can be used in model identification. 相似文献
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Structural changes in 1,1-diamino-2,2-dinitroethylene (DADNE, FOX-7) compressed to high pressure in diamond anvil cells were investigated using angle-dispersive x-ray diffraction analysis, Raman spectroscopy, and optical polarizing microscopy. The x-ray results show several changes above 1 GPa. When the x-ray data are indexed according to the ambient-pressure structure, DADNE shows anisotropic compression, with higher compression along the b axis than along the a or c axis. An ambient-temperature isothermal equation of state of DADNE was generated from these data. In addition, the experimentally obtained Raman spectra were matched with vibrational normal modes calculated using quantum chemistry calculations. The shifts in vibrational modes indicate changes in H-wagging vibrations with pressure. 相似文献
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The eternal inflation scenario predicts that our observable Universe resides inside a single bubble embedded in a vast inflating multiverse. We present the first observational tests of eternal inflation, performing a search for cosmological signatures of collisions with other bubble universes in cosmic microwave background data from the WMAP satellite. We conclude that the WMAP 7-year data do not warrant augmenting the cold dark matter model with a cosmological constant with bubble collisions, constraining the average number of detectable bubble collisions on the full sky N(s) < 1.6 at 68% C.L. Data from the Planck satellite can be used to more definitively test the bubble-collision hypothesis. 相似文献
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Wang Z Masson G Peiris FC Ozin GA Manners I 《Chemistry (Weinheim an der Bergstrasse, Germany)》2007,13(33):9372-9383
Facile synthetic routes have been developed that provide access to cationic and anionic water-soluble polyferrocenylsilane (PFS) polyelectrolytes with controlled molecular weight and narrow polydispersity. Living photolytic ring-opening polymerization of amino-functionalized [1]ferrocenophane (fc) monomers [fcSiMe{C[triple chemical bond]CCH(2)N(SiMe(2)CH(2))(2)}] (3), [fcSi{C[triple chemical bond]CCH(2)N(SiMe(2)CH(2))(2)}(2)] (10), [fcSiMe(C[triple chemical bond]CCH(2)NMe(2))] (14), and [fcSiMe(p-C(6)H(4)CH(2)NMe(2))] (20) yielded the corresponding polyferrocenylsilanes [(fcSiMe{C[triple chemical bond]CCH(2)N(SiMe(2)CH(2))(2)})(n)](5), [(fcSi{C[triple chemical bond]CCH(2)N(SiMe(2)CH(2))(2)}(2))(n)] (11), [{fcSiMe(C[triple chemical bond]CCH(2)NMe(2))}(n)] (15), and [{fcSiMe(p-C(6)H(4)CH(2)NMe(2))}(n)] (21) with controlled architectures. Further derivatization of 5, 15, and 21 generated water-soluble polyelectrolytes [(fcSiMe{C[triple chemical bond]CCH(2)N(CH(2)CH(2)CH(2)SO(3)Na)(2)})(n)] (6), [{fcSiMe(C[triple chemical bond]CCH(2)NMe(3)OSO(3)Me)}(n)] (7), and [{fcSiMe(p-C(6)H(4)CH(2)NMe(3)OSO(3)Me)}(n)] (22), respectively. The polyelectrolytes were readily soluble in water and NaCl aqueous solutions, with 6 and 22 exhibiting long-term stability in aqueous media. The PFS materials 6 and 22, have been utilized in the layer-by-layer (LbL) self-assembly of electrostatic superlattices. Our preliminary studies have indicated that films made from controlled low molecular-weight PFSs possess a considerably thinner bilayer thickness and higher refractive index than those made from PFSs that have an uncontrolled high molecular-weight. These results suggest that the structure and optical properties of LbL ultra-thin films can be tuned by varying polyelectrolyte chain length. The water-soluble low molecular weight PFSs are also useful materials for a range of applications including LbL self-assembly in highly confined spaces. 相似文献