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1.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
2.
The finite-size corrections, central chargesc, and scaling dimensionsx of tricritical hard squares and critical hard hexagons are calculated analytically. This is achieved by solving the special functional equation or inversion identity satisfied by the commuting row transfer matrices of these lattice models at criticality. The results are expressed in terms of Rogers dilogarithms. For tricritical hard squares we obtainc=7/10,x=3/40, 1/5, 7/8, 6/5 and for hard hexagons we obtainc=4/5,x=2/15, 4/5, 17/15, 4/3, 9/5, in accord with the predictions of conformal and modular invariance. 相似文献
3.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
4.
F. D. Saccone C. E. Rodrí guez Torres F. H. S nchez O. Gutfleisch 《Physica B: Condensed Matter》2002,320(1-4):312-315
In the present work, a quantitative analysis of the phase compositions by Mössbauer effect spectroscopy of solid and conventional hydrogen disproportionated Pr13.7Fe80.3B6.0 and Pr13.7Fe63.5Co16.7Zr0.1B6.0 alloys was carried out. Significant amounts of intermediate borides t-Fe3B and Pr(Fe, Co)12B6 were detected after solid hydrogen disproportionation treatment in Pr13.7Fe80.3B6.0 and Pr13.7Fe63.5Co16.7Zr0.1B6.0 alloys, respectively. After conventional hydrogenation–disproportionation–desorption–recombination treatment these phases were not detected and in no case residual Pr2Fe14B-phase was found. It was observed that the amount of intermediate borides after disproportionation can be correlated with the degree of texture after recombination at various temperatures. 相似文献
5.
简要回顾了20世纪20年代以来我国现代磁学研究的历史。20世纪80年代初期正值我国改革开放浪潮之时,科技人员纷纷走上科技成果产业化道路。建立于1985年的中国科学院三环公司就是一个成功的代表,同时好也是我国现代磁学研究结出的一颗硕果。 相似文献
6.
M. Reuhl P. Nielaba K. Binder 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,2(2):225-232
,Static and dynamic properties of the Potts model on the simple cubic lattice with nearest neighbor -interaction are obtained from Monte Carlo simulations in a temperature range where full thermal equilibrium still can be
achieved (). For a lattice size L
= 16, in this range finite size effects are still negligible, but the data for the spin glass susceptibility agree with previous
extrapolations based on finite size scaling of very small lattices. While the static properties are compatible with a zero
temperature transition, they certainly do not prove it. Unlike the Ising spin glass, the decay of the time-dependent order
parameter is compatible with a simple Kohlrausch function, , while a power law prefactor cannot be distinguished. The Kohlrausch exponent y
(
T
) decreases from at [0pt] to at [0pt] however. The relaxation time is compatible with the exponential divergence postulated by McMillan for spin glasses at their lower critical dimension,
but the exponent that can be extracted still differs significantly from the theoretical value, . Thus the present results support the conclusion that the Potts spin glass in d
= 3 dimensions differs qualitatively from the Ising spin glass.
Received: 8 October 1997 / Accepted: 27 November 1997 相似文献
7.
Jeffrey T. Culp Franz Frye Mark W. Meisel Daniel R. Talham 《Coordination chemistry reviews》2005,249(23):2642-2648
Studies of metal cyanide thin films prepared directly at interfaces are reviewed. The systems range from monolayers, single-layer analogs of Prussian blue-like networks, to bulk powders prepared as thin films. Monolayer networks are prepared at the air/water interface and transferred to solid supports using Langmuir-Blodgett film methods. Films of bulk materials are prepared directly on solid surfaces using a templated sequential deposition procedure. The magnetic properties of the films have been explored, and in some cases, these monolayers and surface films give rise to new behavior that is only possible because of the fabrication method or thin film architecture. The methods of synthesis can generate oriented samples, even when the materials are poorly crystalline. Furthermore, the interface-assembled networks are inherently anisotropic, leading to phenomena not present in the solid-state analogs, such as anisotropic photomagnetism in a thin film of RbjCok[Fe(CN)6]l·nH2O. 相似文献
8.
A new model (called the Temperley-Lieb interactions model) is introduced, in two-dimensional lattice statistics, on a square lattice . The Temperley-Lieb equivalence of this model to the six-vertex, self-dual Potts, critical hard-hexagons and critical nonintersecting string models is established. A graphical equivalence of this model to the six-vertex model generalizes this equivalence to noncritical cases of the above models. The order parameters of a specialization of this model are studied. 相似文献
9.
We use a driving field, of the type first suggested by Evans, to generate a steady heat current in the simplest possible system, a two-dimensional periodic fluid of three hard disks. Hard-disk motion equations can be conveniently derived from repulsive constant-force or linear-force potentials by considering the infinitely repulsive limit of these potentials. We show that the isoenergetic and isokinetic forms of the nonequilibrium equations of motion generate steady-state heat conductivities differing by terms of order 1/N, whereN is the number of particles. The resulting conductivities appear to vary as the logarithm of the driving field strength. Even at low fields, the three-body periodic-system results lie well below Enskog's infinite-system prediction. 相似文献
10.