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121.
A Variety of Phase‐Transition Behaviors in a Niccolite Series of [NH3(CH2)4NH3][M(HCOO)3]2
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Ran Shang Sa Chen Ke‐Li Hu Prof. Bing‐Wu Wang Prof. Zhe‐Ming Wang Prof. Song Gao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(18):6199-6203
A niccolite series of [bnH22+][M(HCOO)3]2 (bnH22+=1,4‐butyldiammonium) shows four kinds of metal‐dependent phase transitions, from high temperature para‐electric phases to low‐temperature ferro‐, antiferro‐, glass‐like, and para‐electric phases. The conformational flexibility of bnH22+ and the different size, mass, and bonding character of the metal ion lead to various disorder‐order transitions of bnH22+ in the lattice and relevant framework modulations, thus different phase transitions and dielectric responses. The magnetic members display a coexistence or combination of electric and magnetic orderings in the low‐temperature region. 相似文献
122.
采用基于密度泛函理论的第一性原理结合投影缀加平面波的方法,研究了GaN中Ga被稀土元素Gd替代以及与邻近N或Ga空位组成的缺陷复合体的晶格常数、磁矩、形成能以及电子结构等性质.结果发现,Gd掺杂GaN后禁带宽度变窄,由直接带隙半导体转为间接带隙半导体;单个Gd原子掺杂给体系引入大约7μB的磁矩;在Gd与Ga或N空位形成的缺陷复合体系中,N空位对引入磁矩贡献很小,大约0.1μB,Ga空位能引入约2μB的磁矩.随着Ga空位的增多,体系总磁矩增加,但增加量与Ga空位的位置分布密切相关.当Ga空位分布较为稀疏时,Gd单原子磁矩受影响较小,但当Ga空位距离较近且倾向于形成团簇时,Gd单原子磁矩明显增加,而且这种情况下空位形成能也最小. 相似文献
123.
New crystal structure of Eu(DMF)4(H2O)3Co(CN)6·H2O (DMF = N,N′-dimethylformamide) (Eu-Co) has been determined to be monoclinic, P2(1)/n, a = 19.796(12) Å, b = 8.862(11) Å, c = 17.525(10) Å, β = 96.26(5)°, V = 3056(5) Å3, Z = 4. The Eu(III) ion adopts an antiprismatic eight-coordination and forms a cyano bridge with r(Eu-N) = 2.496(7) Å and Θ(Eu-N-C) = 165.7(7)° to the Co(III) ion. The complex exhibits some common features with the Eu-Fe complex. Diffuse reflectance electronic spectra and magnetic susceptibility of Eu-Cr, Eu-Mn, Eu-Fe, and Eu-Co complexes were compared. By substituting the metal ions, both electronic and structural features affected the charge transfer bands and superexchange interactions concerning cyanide ligands. In addition, only Eu-Co exhibited 5 D 0 → 7 F 2 and 5 D 0 → 7 F 1 luminescence bands at 16300 cm?1 and 16900 cm?1, respectively at 298 K (λex = 360 nm (27000 cm?1)), because quenching by cyano-bridged ions did not prevent Eu(III) ion from exhibiting emission. Thus, only Eu-Co may be suitable for verification of an assumption of mechanism concerning drastic photoinduced magnetic changes for Nd-Fe. Merely small decrease of magnetization was observed for Eu-Co after UV light irradiation at 2.0 K. This result was attributed to slight structural changes around cyano bridges without transitions of spin states. 相似文献
124.
The crystal structure of Nb22O54 is reported for the first time, and the structure of orthorhombic Nb12O29 is reexamined, resolving previous ambiguities. Single crystal X-ray and electron diffraction were employed. These compounds were found to crystallize in the space groups P2/m (, , , β=102.029(3)°) and Cmcm (, , ), respectively and share a common structural unit, a 4×3 block of corner sharing NbO6 octahedra. Despite different constraints imposed by symmetry these blocks are very similar in both compounds. Within a block, it is found that the niobium atoms are not located in the centers of the oxygen octahedra, but rather are displaced inward toward the center of the block forming an apparent antiferroelectric state. Bond valence sums and bond lengths do not show the presence of charge ordering, suggesting that all 4d electrons are delocalized in these compounds at the temperature studied, T=200 K. 相似文献
125.
H. Kachkachi A. Ezzir M. Noguès E. Tronc 《The European Physical Journal B - Condensed Matter and Complex Systems》2000,14(4):681-689
We present a microscopic model for nanoparticles, of the maghemite (-Fe2O3) type, and perform classical Monte Carlo simulations of their magnetic properties. On account of M?ssbauer spectroscopy and
high-field magnetisation results, we consider a particle as composed of a core and a surface shell of constant thickness.
The magnetic state in the particle is described by the anisotropic classical Dirac-Heisenberg model including exchange and
dipolar interactions and bulk and surface anisotropy. We consider the case of ellipsoidal (or spherical) particles with free
boundaries at the surface. Using a surface shell of constant thickness ( nm) we vary the particle size and study the effect of surface magnetic disorder on the thermal and spatial behaviors of the
net magnetisation of the particle. We study the shift in the surface “critical region” for different surface-to-core ratios
of the exchange coupling constants. It is also shown that the profile of the local magnetisation exhibits strong temperature
dependence, and that surface anisotropy is responsible for the non saturation of the magnetisation at low temperatures.
Received 1 September 1999 and Received in final form 3 November 1999 相似文献
126.
127.
评述了与分子基磁体密切相关的5类多原子桥联异核配合物(草胺酸类、草酰胺类、草酸根类、二肟类和氰根类)磁性研究的最新进展,并对该领域进行了简要展望. 相似文献
128.
129.
G.M. Kalvius E. Schreier M. Ekström O. Hartmann S. Henneberger A. Kratzer R. Wäppling E. Martin F.J. Burghart R. Ballou J. Deportes Ch. Niedermayer 《Hyperfine Interactions》2000,128(1-3):275-303
After a short introduction to μSR with respect to the study of magnetic properties, followed by a brief outline of the principle
of the high pressure-low temperature μSR spectrometer installed at the Paul Scherrer Institute, we discuss some measurements
on rare earth materials employing this instrument. They are concerned with: (1) The pressure dependence of the spin turning
process in ferromagnetic Gd. (2) The volume dependence of the internal magnetic field in the heavy rare earth metals Gd, Dy,
and Ho in their ordered magnetic states. (3) The response of the (first order) magnetic transition in the frustrated antiferromagnets
of type RMn2 (R = Y,Gd) to pressure. (4) The variation of magnetic parameters with pressure in La2CuO4 (powder sample), the antiferromagnetic parent compound of the high TC superconductors of type La2−x(Sr, Ba)xCuO4. In conclusion a short outlook on further developments is given.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
130.
用密度泛函理论结合对称性破损方法(DFF-BS)研究了混合桥联三核镍配合物的磁交换耦合作用.这类化合物是由三唑和异硫氰酸根桥联形成的混合桥配合物.计算表明,在标题化合物中,三唑桥传递反铁磁耦合作用,而异硫氰酸根桥传递铁磁耦合作用;并且,随着异硫氰酸根取代三唑桥的数目增加,配合物的铁磁作用增强,在一定意义上说明了混合桥磁耦合作用的加合性.Mulliken自旋布居分析表明,无论是三唑桥还是异硫氰酸根桥,它们的磁交换作用机理都是磁中心的自旋离域.分子磁轨道分析显示,对于三唑桥,在局域磁轨道之间存在着强的轨道作用,导致了反铁磁耦合;对于异硫氰酸根桥,局域磁轨道之间弱的相互作用,表现了铁磁耦合作用.对标题化合物的研究说明了DFF-BS方法可用于三核体系磁交换作用的研究. 相似文献