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21.
The Al45Cr7 compound is considered to exhibit an approximant structure of the icosahedral Al4Cr phase. Its (010) surface has been investigated in detail using density functional calculations. Surface energy calculations show that the stable terminations result from a cleavage of the crystal between adjacent atomic planes, in agreement with the layered structure of the compound. The integrity of the icosahedral atomic arrangements (icosahedral clusters) found in the bulk structure, is predicted to be removed at the surface. This result is in contrast to what has been previously concluded for the (010) surface of the Al13Fe4 quasicrystal approximant. Our findings are discussed in relation to the bonding network in the compound, calculated using the Crystal Orbital Hamiltonian Population approach, as possible reasons for such contrasted behavior. 相似文献
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23.
The Raman and infrared spectra of (NH4)3H(SO4)2 crystal were investigated in the range 20–300 K. An assignment of bands due to internal and external vibrations is given. The crystalline phases designated II, III, V and VII were identified and characterized spectroscopically. Hydrogen bonding, the nature and degree of structural (dis)order and the mechanisms of the phase transitions are discussed. The NH4+ ions show an important orientational disorder and become fully ordered in phase VII only. They are involved in all transitions and seem the main cause of the ferroelectricity at low temperature. 相似文献
24.
Dr. Raphaël Lamare Dr. Romain Ruppert Prof. Corinne Boudon Prof. Laurent Ruhlmann Dr. Jean Weiss 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(65):16071-16081
Polyoxometalates (POMs) can act as unique reservoirs for multiple electron transfers. As POMs display only weak absorption in the visible spectrum, they can be associated with chromophores such as porphyrins and porphyrin antennae. In this Minireview, the research dedicated to the combination of porphyrins and polyoxometalates is put in context and the state of the art identifying the challenges addressed in the optimization of hybrid materials for applications is detailed. 相似文献
25.
N‐(2‐Ethylhexyl)carbazole: A New Fluorophore Highly Suitable as a Monomolecular Liquid Scintillator 下载免费PDF全文
Eva Montbarbon Dr. Fabien Sguerra Dr. Guillaume H. V. Bertrand Élodie Magnier Dr. Romain Coulon Dr. Robert B. Pansu Dr. Matthieu Hamel 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(34):12074-12080
The synthesis, photophysical properties, and applications in scintillation counting of N‐(2‐ethylhexyl)carbazole (EHCz) are reported. This molecule displays all of the required characteristics for an efficient liquid scintillator (emission wavelength, scintillation yield), and can be used without any extra fluorophores. Thus, its scintillation properties are discussed, as well as its fast neutron/gamma discrimination. For the latter application, the material is compared with the traditional liquid scintillator BC‐501 A, and other liquid fluorescent molecules classically used as scintillation solvents, such as xylene, pseudocumene (PC), linear alkylbenzenes (LAB), diisopropylnaphthalene (DIN), 1‐methylnaphthalene (1‐MeNapht), and 4‐isopropylbiphenyl (iPrBiph). For the first time, an excimeric form of a molecule has been advantageously used in scintillation counting. A moderate discrimination between fast neutrons and gamma rays was observed in bulk EHCz, with an apparent neutron/gamma discrimination potential half of that of BC‐501 A. 相似文献
26.
The Lindeman law and a model for the volume dependence of the Grüneisen coefficient generalizing previous current theories are used to calculate the melting curve of aluminum at high pressure. In this model, the Grüneisen coefficient depends on a parameter p specific for the investigated material. Agreement between the calculated melting curve and experimental results involves a negative value of p for aluminum. This result confirms previous determinations of p from shock-wave data and also from the pressure dependance of the elastic moduli determined by ultrasonic measurements. 相似文献
27.
Bel R Behnia K Proust C van der Linden P Maude D Vedeneev SI 《Physical review letters》2004,92(17):177003
We present a study of heat and charge transport in Bi(2+x)Sr(2-x)CuO(6+delta) focused on the size of the low-temperature linear term of the thermal conductivity at optimal-doping level. In the superconducting state, the magnitude of this term implies a d-wave gap with an amplitude close to what has been reported. In the normal state, recovered by the application of a magnetic field, measurement of this term and residual resistivity yields a Lorenz number L=kappa(N)rho(0)/T=1.3+/-0.2L(0). The departure from the value expected by the Wiedemann-Franz law is thus slightly larger than our estimated experimental resolution. 相似文献
28.
The first study of the Nernst effect in NbSe2 reveals a large quasiparticle contribution with a magnitude comparable and a sign opposite to the vortex signal. Comparing the effect of the charge density wave (CDW) transition on Hall and Nernst coefficients, we argue that this large Nernst signal originates from the thermally induced counterflow of electrons and holes and indicates a drastic change in the electron scattering rate in the CDW state. The results provide new input for the debate on the origin of the anomalous Nernst signal in high-T(c) cuprates. 相似文献
29.