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1.
SUN Qiyu 《数学年刊B辑(英文版)》2003,24(3):367-386
In this paper, the author at first develops a method to study convergence of the cascade algorithm in a Banach space without stable assumption on the initial (see Theorem 2.1), and then applies the previous result on the convergence to characterizing compactly supported refinable distributions in fractional Sobolev spaces and Holder continuous spaces (see Theorems 3.1, 3.3, and 3.4). Finally the author applies the above characterization to choosing appropriate initial to guarantee the convergence of the cascade algorithm (see Theorem 4.2). 相似文献
2.
NH chemical shift temperature coefficients have been measured in a large series of N-substituted-3-piperidinethiopropionamides in which the NN distances are short but of varied length, as well as in a couple of the corresponding amides and in some simpler amides and thioamides. Geometries are calculated by means of ab initio DFT methods. The N-substituted-3-piperidinethiopropionamides show in most cases strong intramolecular N–HN hydrogen bonds according to IR spectra and ab initio calculations. For compounds with rather short NN distances the S=C–N–H moiety is non-planar. Dihedral angles as small as 160° are found. The NH chemical shift coefficients measured in non-polar solvents in all the N-substituted-3-piperidinethiopropionamides are more negative (−8 to −17 ppb/K) than in non-hydrogen bonded thioamides. For the latter in non-polar solvents like CDCl3 and toluene the temperature coefficients are as small as −1 to −4 ppb/K. The large negative effects can be related not only to the non-planarity of the thioamide group in a way that the more pronounced the non-planarity the more negative the temperature coefficients, but also to strong hydrogen bonding and the fact that the acceptor is a nitrogen. For similar amides with non-planar amide groups and nitrogen acceptor large negative temperature coefficients are likewise seen. In polar solvents like DMF the effects in simple thioamides are uniform and close to −6 ppb/K, whereas in the more complex compound like 4p(t) the temperature coefficient is close to 0. An essential feature of measuring temperature coefficients of compounds without strong intramolecular hydrogen bonds in non-polar solvents and at low temperatures is to keep the concentration low enough to avoid dimerisation. 相似文献
3.
We show that, contrary to earlier reports, application of the one-parameter variational technique to the classical (image) model for H in front of an Al surface leads to energy shifts for the ground state which are very close to those obtained numerically with a more sophisticated model of the system. 相似文献
4.
稀磁半导体Zn1-xMnxTe吸收光谱压力红移的理论研究 总被引:1,自引:1,他引:0
以自由Mn2+离子的径向波函数为基础,通过引入电子云延伸效应系数κ来修正这一径向波函数,得到了稀磁半导体Zn1-xMnxTe晶体中Mn2+离子的径向波函数.以此波函数为基础,研究了Zn1-xMnxTe晶体吸收光谱的高压谱移特性,并且得到了吸收谱中四条谱线随压力的红移规律. 相似文献
5.
A. BOURHIM 《数学年刊B辑(英文版)》2004,25(3):369-382
In this note, the local spectral properties of unilateral operator weighted shifts arestudied. 相似文献
6.
It is shown that the cascaded fifth-order nonlinear phase shifts will increase with energy loss in the cascaded processes. Essentially different from the multi-photon absorption accompanied with inherent material nonlinearities, the loss of fundamental wave in a cascaded process is controllable and suppressible. By introducing difference frequencies generated from the reaction between the fundamental and its second harmonic after the cascaded processes, the fundamental wave can be free of energy loss, while the large cascaded fifth-order nonlinear phase shift is maintained. 相似文献
7.
《Magnetic resonance in chemistry : MRC》2003,41(8):626-628
15N isotopic enrichment was necessary for the unequivocal assignment of the 1H NMR lines to the protons in the NH–OH fragment of benzohydroxamic acid, BHXA, C6H5CONHOH, in dry dimethyl sulfoxide solutions. The assignment [δ(NH) = 11.21, δ(OH) = 9.01, 1J(15N,1H) = 102.2 Hz, 2J(15N,1H) <1.5 Hz], which is opposite to that used by other authors, confirms the assignment extended to BHXA by Brown and co‐workers from the spectra of acetohydroxamic acid. The enrichment allowed also assignment of the 29Si lines in the spectra of disilylated benzohydroxamic acid, (Z)‐tert‐butyldimethylsilyl N‐tert‐butyldimethylsilyloxybenzoimidate (2) and (Z)‐tert‐butyldiphenylsilyl N‐tert‐butyldiphenylsilyloxybenzoimidate (3), and confirmed structure of the monosilylated products, N‐tert‐butyldiphenylsilyloxybenzamide (4) and N‐tert‐butyldiphenylsilyloxy benzoimidic acid (5). Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
8.
Wojciech Bocian Jarosław Jaźwínski Lech Stefaniak Graham A. Webb 《Chemistry of Heterocyclic Compounds》1995,31(9):1103-1107
1H,13C,14N and15N NMR measurements are reported for four mesoionic 1-oxa-2, 3, 4-triazoles containing exocyclic nitrogenous groups. The NMR signal assignments are discussed and compared with those previously published for some corresponding oxatriazoles. The results obtained support the proposed cyclic mesoionic structures for the compounds studied. The questions of possible charge delocalization and valence tautomerism are addressed. Compound with N– H as a exocyclic group (Fig. 1) is found to be relatively unstable, this is attributed to proton migration in the corresponding non-cyclic form of this molecule.Published in Khimiya Geterotsikiicheskikh Soedinenii, No. 9, pp. 1260–1263, September, 1995. 相似文献
9.
Om Prakash Ajay Kumar Richa Prakash Rosa M. Claramunt Ibon Alkorta José Elguero 《Tetrahedron》2005,61(27):6642-6651
Treatment of α,β-unsaturated carbonyl compounds, obtained by the reaction of DHA and aromatic (or heteroaromatic) aldehydes, with o-aminothiophenol results in the formation of 1,5-benzothiazepines and/or 1,4-benzothiazines depending upon the reaction conditions and structure of the aldehydes. The products were characterized by the combined use of multinuclear 1D and 2D NMR and GIAO/DFT calculations of 1H, 13C and 15N chemical shifts. The tautomerism of these compounds in solution was determined, they have an exocyclic CC double bond. 相似文献
10.