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61.
Yury Yu. Rusakov Leonid B. Krivdin Stephan P. A. Sauer Ekaterina P. Levanova Galina G. Levkovskaya 《Magnetic resonance in chemistry : MRC》2010,48(1):44-52
Experimental measurements and second‐order polarization propagator approach (SOPPA) calculations of 77Se? 1H spin–spin coupling constants together with theoretical energy‐based conformational analysis in the series of 2‐substituted selenophenes have been carried out. A new basis set optimized for the calculation of 77Se? 1H spin–spin coupling constants has been introduced by extending the aug‐cc‐pVTZ‐J basis for selenium. Most of the spin–spin coupling constants under study, especially vicinal 77Se? 1H couplings, demonstrated a remarkable stereochemical behavior with respect to the internal rotation of the substituent in the 2‐position of the selenophene ring, which is of major importance in the stereochemical studies of the related organoselenium compounds. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
62.
Yury Grabovsky Vladislav A. Kucher Lev Truskinovsky 《Continuum Mechanics and Thermodynamics》2011,23(2):87-123
In the case of Lipschitz extremals of vectorial variational problems, an important class of strong variations originates from
smooth deformations of the corresponding non-smooth graphs. These seemingly singular variations, which can be viewed as combinations
of weak inner and outer variations, produce directions of differentiability of the functional and lead to singularity-centered
necessary conditions on strong local minima: an equality, arising from stationarity, and an inequality, implying configurational
stability of the singularity set. To illustrate the underlying coupling between inner and outer variations, we study in detail
the case of smooth surfaces of gradient discontinuity representing, for instance, martensitic phase boundaries in non-linear
elasticity. 相似文献
63.
Adrian P Higson Yury E Tsvetkov Michael A.J Ferguson Andrei V Nikolaev 《Tetrahedron letters》1999,40(52):297-9284
The triglycosyl monophosphate 1, heptaglycosyl triphosphates 2 and 3, and octaglycosyl triphosphate 4, which are fragments of the phosphoglycan part of Leishmania major lipo- and proteo-phosphoglycans have been prepared using di- and tri-saccharide H-phosphonates for construction of the phosphodiester bridges. 相似文献
64.
Yury J. Ionin 《Discrete Mathematics》2006,306(14):1557-1568
The first infinite families of symmetric designs were obtained from finite projective geometries, Hadamard matrices, and difference sets. In this paper we describe two general methods of constructing symmetric designs that give rise to the parameters of all other known infinite families of symmetric designs. The method of global decomposition produces an incidence matrix of a symmetric design as a block matrix with each block being a zero matrix or an incidence matrix of a smaller symmetric design. The method of local decomposition represents incidence matrices of a residual and a derived design of a symmetric design as block matrices with each block being a zero matrix or an incidence matrix of a smaller residual or derived design, respectively. 相似文献
65.
Yury Nikulin 《Journal of Heuristics》2008,14(4):391-402
This paper addresses the robust spanning tree problem with interval data, i.e. the case of classical minimum spanning tree
problem when edge weights are not fixed but take their values from some intervals associated with edges. The problem consists
of finding a spanning tree that minimizes so-called robust deviation, i.e. deviation from an optimal solution under the worst
case realization of interval weights. As it was proven in Kouvelis and Yu (Robust Discrete Optimization and Its Applications,
Kluwer Academic, Norwell, 1997), the problem is NP-hard, therefore it is of great interest to tackle it with some metaheuristic approach, namely simulated
annealing, in order to calculate an approximate solution for large scale instances efficiently. We describe theoretical aspects
and present the results of computational experiments. To the best of our knowledge, this is the first attempt to develop a
metaheuristic approach for solving the robust spanning tree problem. 相似文献
66.
67.
Buckling of slender structures under compressive loading is a failure of infinitesimal stability due to a confluence of two
factors: the energy density non-convexity and the smallness of Korn’s constant. The problem has been well understood only
for bodies with simple geometries when the slenderness parameter is well defined. In this paper, we present the first rigorous
analysis of buckling for bodies with complex geometry. By limiting our analysis to the “near-flip” instability, we address
the universal features of the buckling phenomenon that depend on neither the shape of the domain nor the degree of constitutive
nonlinearity of the elastic material.
相似文献
68.
Prof. Sergey N. Britvin Dr. Sergei A. Kashtanov Dr. Maria G. Krzhizhanovskaya Dr. Andrey A. Gurinov Dr. Oleg V. Glumov Dr. Stanislav Strekopytov Dr. Yury L. Kretser Prof. Anatoly N. Zaitsev Prof. Nikita V. Chukanov Prof. Sergey V. Krivovichev 《Angewandte Chemie (International ed. in English)》2015,54(48):14340-14344
The Group 18 elements (noble gases) were the last ones in the periodic system to have not been encountered in perovskite structures. We herein report the synthesis of a new group of double perovskites KM(XeNaO6) (M=Ca, Sr, Ba) containing framework‐forming xenon. The structures of the new compounds, like other double perovskites, are built up of the alternating sequence of corner‐sharing (XeO6) and (NaO6) octahedra arranged in a three‐dimensional rocksalt order. The fact that xenon can be incorporated into the perovskite structure provides new insights into the problem of Xe depletion in the atmosphere. Since octahedrally coordinated XeVIII and SiIV exhibit close values of ionic radii (0.48 and 0.40 Å, respectively), one could assume that XeVIII can be incorporated into hyperbaric frameworks such as MgSiO3 perovskite. The ability of Xe to form stable inorganic frameworks can further extend the rich and still enigmatic chemistry of this noble gas. 相似文献
69.
Observation of the multiple halogenation of peptides in the electrospray ionization source 下载免费PDF全文
Yury Kostyukevich Ekaterina Zhdanova Alexey Kononikhin Igor Popov Eugene Kukaev Eugene Nikolaev 《Journal of mass spectrometry : JMS》2015,50(7):899-905
The chlorination of peptides and proteins is an important posttranslational modification, which is a physiological signature of an enzyme myeloperoxidase and can serve as a potential biomarker of some diseases (Parkinson's disease, Alzheimer's disease, etc.). The quantification of the chlorinated peptides has been very challenging in part due to their low levels and artifacts associated with sample preparation. One of the most convenient and promising methods to detect and investigate the chlorinated peptides in the biological samples is the electrospray ionization (ESI) mass spectrometry coupled to the fragmentation techniques (collision‐induced dissociation and electron capture dissociation/electron transfer dissociation). We have shown that if the chlorine anions are present in the solution, then the peptide can undergo the chlorination during the ESI ionization. The effect was found to depend on the values of electric potentials of metal parts of the ESI interface. It was found that the grounding of ESI syringe results in the formation of an additional electric loop leading to the electrolytic production of Cl2 and as a consequence the hypochlorous acid inside the ESI needle. Hypochlorous acid reacts with amino groups of peptides and proteins producing chloramine or causing the protein cleavage. In the paper, it is shown on the example of the solution of the several peptides in the presence of HCl that by manipulating the ESI syringe potential, it is possible to create complexes with up to five Cl atoms for sample peptides when the ESI is operated in the positive mode. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
70.
Snégaroff K Nguyen TT Marquise N Halauko YS Harford PJ Roisnel T Matulis VE Ivashkevich OA Chevallier F Wheatley AE Gros PC Mongin F 《Chemistry (Weinheim an der Bergstrasse, Germany)》2011,17(47):13284-13297
A series of chloro- and bromopyridines have been deprotometalated by using a range of 2,2,6,6-tetramethylpiperidino-based mixed lithium-metal combinations. Whereas lithium-zinc and lithium-cadmium bases afforded different mono- and diiodides after subsequent interception with iodine, complete regioselectivities were observed with the corresponding lithium-copper combination, as demonstrated by subsequent trapping with benzoyl chlorides. The obtained selectivities have been discussed in light of the CH acidities of the substrates, determined both in the gas phase and as a solution in THF by using the DFT B3LYP method. 相似文献