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1.
BIT Numerical Mathematics - In this article we address the problem of minimizing a strictly convex quadratic function using a novel iterative method. The new algorithm is based on the well-known... 相似文献
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Composition of corrosion layers on steel 20 in aerated solutions with hydrazine concentrations less than 11 ppm was studied at 50, 60, and 80°C in dynamic conditions by transmission Mössbauer spectroscopy and X-ray diffraction as supplementary technique. Corrosion rates were determined by gravimetric method. A comparison with corrosion in water at 80°C was made. The observed layers have not any protective character. For 0.1 m/s linear velocity, they are composed by nonstoichiometric magnetite, (Fe3?x O4,x=0.02–0.04) with lepidocrocite (γ-FeOOH) as secondary phase at 50°C. Haematite (α-Fe2O3) is observed at 60 and 80°C with a 19 nm particle size. It becomes smaller for higher velocity (0.7 m/s). 相似文献
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Prados-Rosales RC Herrera MC Luque-García JL de Castro L 《Journal of chromatography. A》2002,946(1-2):133-140
A fast microwave-assisted dansylation procedure has been developed for the derivatization of N-nitrosamines prior to high-performance liquid chromatography determination. N-Nitrosomorpholine, N-nitrosodimethylamine, N-nitrosodiethylamine, N-nitrosopyrrolidine and N-nitrosopiperidine are first denitrosated by hydrobromic acid-acetic acid to produce secondary amines, which are then quantitatively dansylated in 5 min using radiation power of 378 W and a maximum pressure of 1.4 bar inside the reactor. The reaction mixture is separated on a C18 column with acetonitrile-water (55:45, v/v) as mobile phase with fluorimetric detection at 531 nm (excitation at 339 nm). The detection limits range from 8 to 75 pg for N-nitrosomorpholine and N-nitrosodiethylamine, respectively. The method was applied to study the recoveries of N-nitrosamines in beer and their determination in cigarette smoke. 相似文献
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The one-pot reaction of 1-tetralone with nitriles in the presence of triflic anhydride affords in good yields 2,4-disubstituted 5,6-dihydrobenzo[h]quinazolines, which oxidation with DDQ leads to the corresponding benzo[h]quinazolines. 2-Tetralone undergoes identical process forming 1,3-disubstituted 5,6-dihydrobenzo[f]quinazolines. However, when the reaction of 2-tetralone is carried out with methylthiocyanate as nitrile, 5-methylthiotetrahydrodibenzo[a,i]phenanthridines are isolated in good yields. Easy transformations of the methylthio group offer possible access to a variety of substituted dibenzo[a,i]phenanthridines. 相似文献
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Martinez Alvarez R Herrera Fernandez A Chioua M Ramiro Perez P Villalba Vilchez N Guzman Torres F 《Rapid communications in mass spectrometry : RCM》1999,13(24):2480-2488
Several 5,6-dialkyl-2,4-diarylpyrimidines were prepared and their electron ionization (EI) mass spectra reported. The benzylic cleavage takes place easily together with an important McLafferty rearrangement. The involvement of the nitrogen atom appears to be important in the fragmentation of 5-methyl-substituted pyrimidines. In contrast, the 6-methyl-substituted pyrimidines undergo benzylic cleavage without hydrogen transfer. Thus, the difference in the mass spectrometric behaviour allows the identification of these isomeric compounds which, in contrast, exhibit only small differences in their NMR spectra. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
7.
J. M. Hernndez Ana M. Herrera J. García‐Serrano J. F. Rivas‐Silva 《International journal of quantum chemistry》2002,88(3):342-346
Conformations of p‐methacryloylaminophenylarsonic acid (p‐MAPHA) are determined through molecular mechanics and DFT/B3LYP calculations. Solvation effects are studied within the self‐consistent isodensity continuum model (SCI‐PCM). The stationary points were found to correspond to minima as verified by the analysis of vibrational frequencies in the molecule. The molecular optical absorption was obtained by using different solvent environments. The present results are in good agreement with the available experimental data. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002 相似文献
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Morelos A Albuquerque IF Bondar NF Carrigan RA Chen D Cooper PS Lisheng D Denisov AS Dobrovolsky AV Dubbs T Endler AM Escobar CO Foucher M Golovtsov VL Gottschalk H Gouffon P Grachev VT Khanzadeev AV Kubantsev MA Kuropatkin NP Lach J Lang Pengfei Li Chengze Li Yunshan Luksys M Mahon JR McCliment E Newsom C Pommot Maia MC Samsonov VM Schegelsky VA Shi Huanzhang Smith VJ Tang Fukun Terentyev NK Timm S Tkatch II Uvarov LN Vorobyov AA Yan Jie Zhao Wenheng Shuchen Z Zhong Yuanyuan 《Physical review letters》1993,71(21):3417-3420