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1.
Attila Kovács 《International journal of quantum chemistry》2020,120(1):e26051
Lanthanide dinitrogen complexes, Ln(N2) x (x = 1-8), were investigated by Density Functional Theory computations using the B3LYP exchange-correlation functional in conjunction with quasirelativistic pseudopotentials for Ln. After a recent study on the lanthanum complexes (A. Kovács, Structural Chemistry 2018 , 29, 1825), the present study aimed to probe the changes upon variously filled 4f subshells of Ln on the structures, stabilities, and bonding properties in related complexes of Nd, Ho, and Lu. The bonding properties were assessed on the basis of natural atomic charges, Ln valence orbital populations, and analysis of bonding molecular orbitals. 相似文献
2.
Lubomír Havlk Jan Fbry Margarida Henriques Michal Duek 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(7):623-630
The title structures of KScS2 (potassium scandium sulfide), RbScS2 (rubidium scandium sulfide) and KLnS2 [Ln = Nd (potassium neodymium sufide), Sm (potassium samarium sulfide), Tb (potassium terbium sulfide), Dy (potassium dysprosium sulfide), Ho (potassium holmium sulfide), Er (potassium erbium sulfide), Tm (potassium thulium sulfide) and Yb (potassium ytterbium sulfide)] are either newly determined (KScS2, RbScS2 and KTbS2) or redetermined. All of them belong to the α‐NaFeO2 structure type in agreement with the ratio of the ionic radii r3+/r+. KScS2, the member of this structural family with the smallest trivalent cation, is an extreme representative of these structures with rare earth trivalent cations. The title structures are compared with isostructural alkali rare earth sulfides in plots showing the dependence of several relevant parameters on the trivalent cation crystal radius; the parameters thus compared are c, a and c/a, the thicknesses of the S—S layers which contain the respective constituent cations, the sulfur fractional coordinates z(S2−) and the bond‐valence sums. 相似文献
3.
Hans‐Peter Brack Denise Ruegg Heinrich Bührer Michal Slaski Selmiye Alkan Günther G. Scherer 《Journal of Polymer Science.Polymer Physics》2004,42(13):2612-2624
The influence of irradiation and grafting on the crystallinity of three base polymers has been investigated with differential scanning calorimetry. Grafting has the largest effect on the base polymer crystallinity and results in a reduction of the crystallinity. The thermal degradation of the base polymers and grafted films has been investigated with thermogravimetric analysis. The extent of the fluorination of the base polymer, the irradiation method, and the graft level all influence the thermal degradation and its activation energy. It is proposed that the variation of the chain lengths of the grafted polystyrene chains is actually a primary underlying factor responsible for the influence of these various parameters on the degradation process. The first results of a comparative thermal analysis of some fuel‐cell membranes are also presented, and the promise and shortcomings of this method are discussed. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2612–2624, 2004 相似文献
4.
5.
Dextran-modified iron oxide nanoparticles 总被引:1,自引:0,他引:1
Dextran-modified iron oxide nanoparticles were prepared by precipitation of Fe(Ⅱ) and Fe(Ⅲ) salts with ammonium hydroxide by two methods. Iron oxide was precipitated either in the presence of dextran solution, or the dextran solution was added after precipitation. In the second method, the iron oxide particle size and size distribution could be controlled depending on the concentration of dextran in the solution. The nanoparticles were characterized by size-exclusion chromatography, transmission electron microscopy and dynamic light scattering. Optimal conditions for preparation of stable iron oxide colloid particles were determined, The dextran/iron oxide ratio 0-0,16 used in precipitation of iron salts can be recommended for synthesis of nanoparticles suitable for biomedical applications, as the colloid does not contain excess dextran and does not coagulate. 相似文献
6.
7.
L. Kováč 《Applied magnetic resonance》2007,31(1-2):11-28
The life course of the physicist and biologist George Feher may be seen as an epitome of science of the second half of the 20th century and the beginning of the 21st century. Feher, a native of Slovakia, barely escaped Nazism and communism and became a scientist in the USA. The Nazi concentration camps and the communist gulags have become a symbol of the 20th century. This symbol stands here to pose a question: How the two totalitarian systems, fraught with irrationality, may have arisen and thrived in parallel with an unprecedented expansion of science, the paragon of rationalism? The question has become even more urgent in the 21st century. The Ground Zero, an empty spot left after the collapse of the twin towers of the World Trade Center on 11 September 2001, has become the symbol of the entrance of humankind into the new millennium. We can do much, but we understand too little about who we are and what we are doing — this is a message that the two symbols convey about the precarious stage of our evolution. The second message concerns the role of artifacts, specifically scientific instruments, in the advancement of science. Human cultural evolution has been steadily progressing, in a form of a ratchet, only because artifacts have been continually evolving. Contrary to the common Popperian wisdom, the demarcation in science may not consist in the amenability to theoretical falsification, but rather in the amenability to instrumental grasping. Scientific instruments have empowered humans for impressive feats of manipulation with Nature and themselves. Knowledge arising in the course of autonomous evolution of artifacts may surpass the horizon of human understanding and grasping. New knowledge may still be power, but no longer the power of humans. We may need a revision of some fundamental ideas of European thought. Our understanding of the human mind may entirely reshape our comprehension of the nature of physical knowledge, and vice versa. 相似文献
8.
We focus on a major difficulty in solving combinatorial problems, namely, on the verification of a solution. Our study aimed at identifying undergraduate students' tendencies to verify their solutions, and the verification strategies that they employ when solving these problems. In addition, an attempt was made to evaluate the level of efficiency of the students' various verification strategies in terms of their contribution to reaching a correct solution. 14 undergraduate students, who had taken at least 1 course in combinatorics, participated in the study. None of the students had prior direct learning experience with combinatorial verification strategies. Data were collected through interviews with individual or pairs of participants as they solved, 1 by 1, 10 combinatorial problems. 5 types of verification strategies were identified, 2 of which were more frequent and more helpful than others. Students' verifications proved most efficient in terms of reaching a correct solution when they were informed that their solution was incorrect. Implications for teaching and learning combinatorics are discussed. 相似文献
9.
T. Gühne V. Gottschalch G. Leibiger H. Herrnberger J. Kovác J. Kovác Jr. R. Schmidt-Grund B. Rheinländer D. Pudis 《Laser Physics》2006,16(3):441-446
In this paper, we report on the design and optical properties of laser diodes with an emission wave-length of ~1170 nm based on an (InGa)As/GaAs double quantum well active layer. The back and front facet of the laser diodes were coated with SiOx dielectric films that influence the output optical power by enhancing or lowering the facet reflectivity. The measurements show improvement of the facet-coated laser diode properties in the threshold-current-density reduction along with light output power enhancement. Furthermore, a narrow far field pattern and high side mode suppression have been observed. 相似文献
10.
Michal Tencer 《Applied Surface Science》2006,252(23):8229-8234
For certain applications of galvanized steel protected with conversion coatings it is important that the surface is electrically conductive. This is especially important with mating surfaces for electromagnetic compatibility. This paper addresses electrical conductivity of chromate conversion coatings. A cross-matrix study using different zinc plating techniques by different labs showed that the main deciding factor is the type of zinc-plating bath used rather than the subsequent chromating process. Thus, chromated zinc plate electrodeposited from cyanide baths is non-conductive while that from alkaline (non-cyanide) and acid baths is conductive, even though the plate from all the bath types is conductive before conversion coating. The results correlate well with the microscopic structure of the surfaces as observed with scanning electron microscopy (SEM) and could be further corroborated and rationalized using EDX and Auger spectroscopies. 相似文献