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61.
A new series of perovskite-like compounds CMn7O12 have been synthesized under high pressure and high temperature conditions. C is a large divalent or trivalent cation such as Ca, Cd, Sr, La and Nd. The structures of the quenched materials have been determined from powder X-ray data. They are distortions of the NaMn7O12 cubic structure. The [C2+Mn3+3](Mn3+3Mn4+)O12 compounds are trigonal (). The C2+ and Mn3+ as well as the Mn3+ and Mn4+ cations are ordered on the corresponding A and B sites of the perovskite structure, respectively. The [C3+Mn3+3] (Mn3+4)O12 compounds are monoclinic (). In these compounds the order exists only in the A sites. It is shown that the lower symmetry may be the result of a cooperative Jahn-Teller effect of the Mn3+ cations occupying the B sites. 相似文献
62.
Joubert Andre Kellermann Tracy Joubert Anton van der Merwe Marthinus Norman Jennifer Castel Sandra Sliwa Karen Maartens Gary Sinxadi Phumla Wiesner Lubbe 《Chromatographia》2022,85(5):455-468
Chromatographia - A method for the extraction and quantification of carvedilol, enalaprilat, and perindoprilat in 50 µL human plasma, using high-performance liquid chromatography with... 相似文献
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64.
J. Joubert 《Journal of organometallic chemistry》2006,691(5):1030-1038
The coordination modes of various α,β-unsaturated aldehydes on d6 ML4 and ML5 complexes of rhodium and ruthenium have been compared by means of density functional theory (DFT) calculations. The studied aldehydes were acrolein, crotonaldehyde, prenal and cinnamaldehyde and the metallic fragments RuH2(PH3)2, RuH2(PH3)3 and RhH2Cl(PH3)2. On the d6 ML4 Ru fragment, the best coordination geometry is η4, where both double bonds are involved. On the d6 ML5 Ru fragment, the η2CC geometry is preferred to the η1O and to the η2CO ones. Finally on the d6 ML5 Rh fragment, the η2CO mode is not stable and only η1O and η2CC exist, the former being favored. In conclusion, the η2CO coordination geometry is never favored even if the energy gap between η2CC and η2CO is reduced by the use of bulky ligands (PPh3) or alkyl substituents on the CC bond. The Ru and Rh complexes behave differently: in the case of Ru, η2CC and η2CO can be in competition and in the case of Rh, the best form is η1O. This different behavior can explain the results obtained in the hydrogenation reaction of α,β-unsaturated aldehydes. 相似文献
65.
For bipartite graphs , the bipartite Ramsey number is the least positive integer so that any coloring of the edges of with colors will result in a copy of in the th color for some . In this paper, our main focus will be to bound the following numbers: and for all for and for Furthermore, we will also show that these mentioned bounds are generally better than the bounds obtained by using the best known Zarankiewicz-type result. 相似文献
66.
This paper is on fuzzy stochastic optimisation, an area that is quickly coming to the forefront of mathematical programming under uncertainty. An even stronger motivating factor for the growing interest in this area can be found in the ubiquitous nature of decision problems involving hybrid imprecision. More precisely, we consider a range of situations in which random factors and fuzzy information co-occur in an optimisation setting. Related hybrid optimisation models are discussed and converted into deterministic terms through appropriate tools like probabilistic set, uncertain probability, and fuzzy random variable, making good use of uncertainty principles. We also discuss ways to deal with the resulting problems. Numerical examples carried out using class optimisation software demonstrate the efficiency of the proposed approaches. We shall end this article by pointing out some of the challenges that currently occupy researchers in this emerging field. 相似文献
67.
68.
The compound Th0.25 NbO3 melts congruently at 1390°C. Single crystals obtained by slow cooling from the melt are transparent and show uniaxial optical properties. A single-crystal X-ray analysis confirms the tetragonal cell found by Kovba and Trunov from a powder data and gives a = 3.90 Å and c = 7.85 Å. No systematic absence of the hkl reflections is observed on precession films. The relative intensities of the main reflections are characteristic of a perovskite-like arrangement ABO3 whose large dodecahedral A sites are only partly occupied. Several domains have been found in the perovskite-type solid solution (1 ? x) Th0.25NbO3-x NaNbO3. For 0 ? x ? 0.5 the phases have a tetragonal cell with and as in pure Th0.25 NbO3. When 0.6 ? x ? 0.8 the corresponding phases crystallize with a small cubic cell (Å), while phases with 0.9 ? x ? 1 have an orthorhombic cell (). 相似文献
69.
Single crystals of a new oxide “FeV3O8” () have been synthesized by slowly cooling a melted mixture with the composition, 8VO2, 3V2O5, Fe2O3. The chemical formula has been determined by electron microprobe analysis. The compound, isostructural with AlNbO4 and VO2(B), has a monoclinic symmetry, space group ; the unit cell dimensions are a = 12.13Å, b = 3.679 Å, c = 6.547 Å, β = 106.85°. A structural refinement based on single crystal data has been carried out. It gave an R-factor of 1.9%. This refinement indicated that the iron and vanadium cations are partially ordered, although the average cation-oxygen distances for the two six-coordinated cations were exactly the same (1.961 Å). This conjecture was supported by the calculation of the cation valences. 相似文献
70.
Juan Andrés Paul W. Ayers Roberto A. Boto Ramon Carbó-Dorca Henry Chermette Jerzy Cioslowski Julia Contreras-García David L. Cooper Gernot Frenking Carlo Gatti Farnaz Heidar-Zadeh Laurent Joubert Ángel Martín Pendás Eduard Matito István Mayer Alston J. Misquitta Yirong Mo Julien Pilmé Paul L. A. Popelier Martin Rahm Eloy Ramos-Cordoba Pedro Salvador W. H. Eugen Schwarz Shant Shahbazian Bernard Silvi Miquel Solà Krzysztof Szalewicz Vincent Tognetti Frank Weinhold Émilie-Laure Zins 《Journal of computational chemistry》2019,40(26):2248-2283