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1.
Á. Pintér 《Archiv der Mathematik》1993,61(1):64-67
Research supported in part by Grant 4055 from the Hungarian National Foundation for Scientific Research and by Kereskedelmi és Hitelbank Rt. Universitas Foundation. 相似文献
2.
The electronic spectra of tetrathiotetracene (TTT) and of its mono- and dipositive ions have been calculated by the Pariser-Parr-Pople (PPP) method. Furthermore, the band polarizations of the first two bands of TTT have been measured. A reasonable band assignment is given using a new set of PPP parameters based on spectral data of a naphthalene derivative containing similar typical weak S-S bond. Other physical parameters as ionization potential, disproportionation energy, S-S bond length and net π-charges are discussed. 相似文献
3.
Paul Mezey Arpad Kucsman Giannoula Theodorakopoulos Imre G. Csizmadia 《Theoretical chemistry accounts》1975,38(2):115-119
The topomerization (bond rotation andS-pyramidal inversion) of a simple sulphilimine model, H2SNH has been studied with the aid ofab initio SCF MO calculations. The highest rotation barrier occurs when the H2SN moiety is planar, < HSN = 120 °. The maxima of the inversion crossections occur at the planar conformation for all rotation angles α as expected, however, the minima belong to different values when α is varied. The minimum energy path between the two lowest minima of the conformational energy surface consists of a pure inversion section and a section which is mostly rotation. The optimum values of the < HSN bond angles are significantly smaller than the corresponding < RSN bond angles of sulphilimines of bulkierR substituents. 相似文献
4.
Dénes Szabó István Kapovits Árpád Kucsman Mátyás Czugler Vilmos Fülöp Alajos Kálmán 《Structural chemistry》1991,2(5):529-535
1-[2-(N-methylcarbamoyl)phenyl]-3H-2,1-naphto-(1,8-d,e)-oxathiin-1-ium chloride (2), 1-[2-(N-methylcarbamoyl)-phenyl]-2-methyl-3-oxo-3H-1, 2-naphto-(1,8-d,e)-thiazin-1-ium chloride (3), 1-[8-(N-methylcarbamoyl)naphtyl]-2-methyl-3-oxo-3H-1, 2-naphto-(1,8-d,e)-thiazin-1-ium chloride (4) and 1-(8-carboxylatonaphtyl)-2-methyl-3-oxo-3H-1,2-naphto-(1,8-d,e)-thiazin-1-ium dipolar ion (5) cyclic sulfonium salts were prepared and their chemical properties investigated (spirosulfurane-formation, hydrolysis). The molecular structures obtained from x-ray diffraction can be described with a considerably distorted trigonal bipyramidal arrangement of the ligands about the sulfonium center, with O/N—S ... O=apical angles of 173.9, 164.9, 156.6, and 159.0°, as well as with S—O/N apical bond lengths of 1.648, 1.671, 1.664, and 1.682 Å. The structures exhibit relatively short S ... O close contacts with interatomic distances of 2.253, 2.448, 2.795, and 2.619 Å. 相似文献
5.
The acid-catalysed hydrolysis of sulphilimines of XC6H4(Me)SNTs and MePhSNSO2C6H4Y type has been studied by a kinetic method in moderately concentrated (1–6 M) aqueous H2SO4 and HClO4 solutions. The rate law: rate = kψ[sulphilimine] is valid for hydrolysis leading to sulphoxides and sulphonamides. The dependence of kψ on acidity, temperature and substituents X and Y has been measured and interpreted, ?X, ?Y and ΔS‡ data (+ 1·19, + 1·00 and −18·7- - 22·6 e.u., resp) show that the nucleophilic attack of water on the positively polarized S(IV) atom of protonated sulphilimines can be regarded as the rate-determining step of the hydrolysis. From φ parameters (0·94−1·5) calculated for the hydrolysis of MePhSNTs it follows that water participates in the reaction as a nucleophile and proton-transfer agent. 相似文献
6.
Á. Figula 《Journal of Mathematical Sciences》2014,197(6):735-740
In this brief survey, we discuss the following question: Which Lie groups can occur as the multiplication groups Mult(L) of connected topological loops L? We describe correspondences between the structure of the group Mult(L) and the structure of the loop L. 相似文献
7.
M. Duque‐Bernal J. D. Quintero‐Arias W. Osorio‐Viana I. Dobrosz‐Gómez J. Fontalvo M. Á. Gómez‐García 《国际化学动力学杂志》2013,45(1):10-18
The liquid‐phase esterification of acetic acid and isoamyl alcohol has been studied to develop a kinetic model using a sequential experimental design based on the divergence criterion. Data come from batch reactor experiments, performed in the temperature range of 316–363 K. Discrimination among 36 possible kinetic models, written in terms of activity, mole fractions, and molar densities, is possible through the deviance information criterion, as estimated by a Markov chain Monte Carlo technique. The obtained results indicate a negligible heat of reaction and a clear autocatalytic effect of acetic acid on the esterification rate. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 45: 10–18, 2013 相似文献
8.
Grünwald–Marcinkiewicz type theorems with respect to barycentric Lagrange interpolation based on equidistant and Chebyshev node-sytems in [–1, 1] are proved. It turns out that the results are very similar to the ones known for the classical Lagrange interpolation. 相似文献
9.
10.
Uniformly sized constituencies give voters similar influence on election outcomes. When constituencies are set up, seats are allocated to the administrative units, such as states or counties, using apportionment methods. According to the impossibility result of Balinski and Young, none of the methods satisfying basic monotonicity properties assign a rounded proportional number of seats (the Hare-quota). We study the malapportionment of constituencies and provide a simple bound as a function of the house size for an important class of divisor methods, a popular, monotonic family of techniques. 相似文献