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191.
In this paper, a Volterra model with mutual interference and time delays is investigated. By applying the comparison theorem of the differential equations and constructing a suitable Lyapunov functional, sufficient conditions which guarantee the permanence and existence of a unique globally attractive positive almost periodic solution of the system are obtained. Two suitable examples together with their numeric simulations are given to illustrate our results by using MatLab. 相似文献
192.
Hao Dong Dawen Xu Wangsheng Liu Yaopeng Zhang Hao Guo 《Journal of Saudi Chemical Society》2019,23(8):1041-1048
An intramolecular-intermolecular cascade cyclization reaction via multi metal-carbene intermediates has been developed. This reaction uses catalytic amount of Nd(OTf)3, which actives both alkyne and aldehyde moieties. This protocol provides a novel strategy for the synthesis of phenanthro[9,10-b]furans. 相似文献
193.
A stability analysis of the equilibrium position for a given class of Hopfield neural networks with time delays is presented. The robustness of the equilibrium stability with respect to variations in the time delays, system parameters, and interconnection matrix is analyzed. Three approaches are presented which account in various ways for stability of the equilibrium with respect to these perturbations.Work conducted while visiting the University of Bremen, supported by the Deutscheforschungsgemeinschaft. 相似文献
194.
The Electron impact mass spectra of (CO)3 MC6H5—X complexes (M = Cr, W; X = OCH3, OC4H9, CO2CH3, CO2C4H9) were recorded. From metastable transitions and by high-resolution measurements complete fragmentation diagrams were obtained; in some cases comparative structure determinations of fragment ions were carried out by collisional activation. The fragmentation of the tungsten complexes considerably differs from that of the chromium compounds. The differences may be attributed to the stronger-electrophilic character as well as to the more pronounced tendency of tungsten to attain higher oxidation states. 相似文献
195.
The phase relations and equations of state of ZrO 2 and HfO 2 high-pressure polymorphs have been investigated by means of in situ observation using multi-anvil type high-pressure devices and synchrotron radiation. Baddeleyite (monoclinic ZrO 2 ) transforms to two distorted fluorite (CaF 2 )-type phases at 3-4 GPa depending on temperature: an orthorhombic phase, orthoI, below 600 °C and a tetragonal phase, which is one of the high-temperature forms of ZrO 2 , above 600 °C. Both orthoI and tetragonal phases then transform into another orthorhombic phase, orthoII, with a cotunnite (PbCl 2 )-type structure above 12.5 GPa and the phase boundary is almost independent of temperature. OrthoII is stable up to 1800 °C and 24 GPa. In case of HfO 2 , orthoI is stable from 4 to 14.5 GPa below 1250-1400 °C and transforms to the tetragonal phase above these temperatures. OrthoII of HfO 2 appears above 14.5 GPa and is stable up to 1800 °C at 21 GPa. The unit cell parameters and the volumes of these high-pressure phases have been determined as functions of pressure and temperature. The orthoI/tetragonal-to-orthoII transition of both ZrO 2 and HfO 2 is accompanied by about 9% volume decrease. The bulk moduli of orthoII calculated using Birch-Murnaghan's equations of state are 296 GPa and 312 GPa for ZrO 2 and HfO 2 , respectively. Since orthoII of both ZrO 2 and HfO 2 are quenchable to ambient conditions, these are candidates for super-hard materials. 相似文献
196.
A theoretical investigation of the MgAl 2 O 4 crystal response to high-pressure conditions has been carried out to determine its stability against decomposition towards MgO and f -Al 2 O 3 , and towards recently observed orthorhombic phases. We have evaluated total energy versus volume curves using the density functional formalism under the non-local B3LYP approximation, as implemented in the CRYSTAL package. Numerical and analytical fittings have been carried out to determine the equilibrium unit cell geometry and equation of state parameters for all the structures and compounds involved in the phase diagram. The macroscopic compressibility of the spinel phase is interpreted considering the compressibility of its elementary MgO 4 and AlO 6 coordination polyhedra, and implications to understand the phase stability are suggested. 相似文献
197.
The equations of state and phase stability of calcium chalcogenides, CaS, CaSe and CaTe are investigated via first principles theoretical calculations. We report results of the structural properties of these compounds in the B1(NaCl) and the B2(CsCl) phases, the theoretical transition pressure and the volumes compression ratio. For CaTe we investigate the possible existence of an intermediate phase between the B1 and the B2 structure. 相似文献
198.
本文用本征通道量子亏损理论方法(EQDT方法)计算了氖等电子序列2p^5nl(l=s,d)系列的高激发态结构。得到基本结构参量(EQDT参量)随净电荷数Zc增大的变化规律,并从静电相互作用下自旋-轨道相互作用之间的竞争角度给出确切的物理解释。以NeI为实例,给出其高激发态结构的具体数值结果。 相似文献
199.
200.
在密度泛函理论的框架下,采用广义梯度近似(GGA)研究了KB_n(n=1-9)团簇的基态几何结构,系统计算了平均结合能Eb、二阶能量差分△2E、劈裂能D(n,n-1)、最高占据轨道(HOMO)与最低未占据轨道(LUMO)之间的能隙,研究表明:KB_n(n=1-9)团簇,随着团簇尺寸的变化,其稳定性逐渐增强,其中KB_3和KB_5为幻数团簇;KB_n(n=1-9)团簇的能隙随团簇总原子数的增加呈现振荡变化,态密度分析得到能隙振荡变化的原因是团簇带隙的差异. 相似文献