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61.
A. A. Kashevarov I. N. Yeltsov M. I. Épov 《Journal of Applied Mechanics and Technical Physics》2003,44(6):872-879
The evolution of an invaded zone during borehole drilling in water- and oil-saturated sand formations is studied by mathematical modeling of hydrodynamic processes in porous media filled with a two-component fluid. The use of hydrodynamic modeling to interpret high-frequency electromagnetic logs makes it possible to construct consistent geoelectric and hydrodynamic models for formations with different fluid saturations. The results obtained are in good agreement with geological and geophysical data. 相似文献
62.
S. P. Decent 《Continuum Mechanics and Thermodynamics》2006,17(7):525-543
The instability of an axisymmetric viscous liquid jet in a gas or in a vacuum is examined using the interface formation theory. This model allows for variable surface tension at constant temperature, generalising the classical continuum formulation by using irreversible thermodynamics. Steady-state solutions are determined and found to be unstable to a travelling wave that propagates down the liquid jet, causing the jet to break-up into drops. The linear instability results are compared to those of the classical formulation. These are especially found to differ when the jets are on the micron scale. This will give rise to significantly revised predictions in some parameter ranges for the break-up length and droplet sizes produced by microjets. Comparisons with molecular dynamics simulations are also presented, with encouraging results. Finally, the dependence of the results on the initial conditions is discussed.
PACS 68.03.Cd 相似文献
63.
The main features of the unsteady outflow of a fluid from a cylindrical vessel rotating together with it at a constant angular velocity through a central drain hole in the bottom are studied. The software package STAR-CD tested on the results of experiments with water in the absence of rotation is used. Certain important features of the phenomenon under consideration related with the formation of vortex funnels in the fluid are established. The effect of the main control parameters of the problem, namely, angular velocity, viscosity, initial depth, etc., is analyzed. 相似文献
64.
基于空气源热泵在低温寒冷地区运行中遇到的结霜问题,对不同风速工况下,结霜过程中设备性能的变化进行分析,以换热量、换热系数为指标对不同翅型换热器的换热特性进行研究。实验结果显示:换热器结霜过程中,换热过程主要分为初始增加段、换热平稳段、缓慢衰减段、后期平稳等四段,结晶体在增加空气湍流度强化换热的同时,也增加了换热热阻使换热效果变差,因此换热效果本质而言是两种换热效果的综合体现;空气阻力随风速的增大、结霜量的增加而增大,而蒸发压力随着风速的增加而升高、随结霜量的增大而减小;百叶窗翅片表面结霜量大于平翅片,因此平翅片翅型当量换热系数更大,翅片结霜量、当量换热系数随风速的增加而增大,风速由1 m/s增至4 m/s时,结霜量、当量换热系数增加约三倍。 相似文献
65.
Sebastian Reimann Alina Bunescu Andranik Petrosyan Muhammad Sharif Silke Erfle Constantin Mamat Tariel V. Ghochikyan Ashot S. Saghyan Anke Spannenberg Alexander Villinger Peter Langer 《Helvetica chimica acta》2013,96(10):1955-1967
A variety of 6‐(trichloromethyl)salicylates (=2‐hydroxy‐6‐(trichloromethyl)benzoates) were prepared by TiCl4‐mediated cyclization of 1,3‐bis(trimethylsilyloxy)buta‐1,3‐dienes with 1,1,1‐trichloro‐4,4‐dimethoxybut‐3‐en‐2‐one. The employment of trimethylsilyl trifluoromethanesulfonate (Me3SiOTf) as Lewis acid resulted in the formation of trichloromethyl‐substituted cyclohexenones. The cyclizations proceeded with good‐to‐very‐good regioselectivities. 相似文献
66.
Lithium carbonate (Li2CO3) and ammonium dihydrogen phosphate (NH4H2PO4) were used for synthesizing lithium diphosphate (Li4P2O7). The purity of the latter compound was checked up by X-ray diffraction. The heat of dissolution of (Li4P2O7) in phosphoric acid solution was measured in a C-80 SETARAM calorimeter. Many dilution and mixing processes in acid solutions of several concentrations (w/w) H3PO4, were also realized in the calorimeter in order to get the standard enthalpy of formation of this product. Two thermochemical cycles were investigated and the obtained values for the enthalpy of formation are: (−3383.4 and −3147) kJ · mol−1. The former one is in better agreement with literature data. 相似文献
67.
Density functional theory study of formaldehyde adsorption and decomposition on Co-doped defective CeO_2(110) surface 下载免费PDF全文
《中国物理 B》2021,30(10):103101-103101
Formaldehyde as an air pollutant to adverse health effects for humanity has been getting attention. The adsorption and dissociation of formaldehyde(HCHO) on the Co_xCe_(1-x_O_(2-δ)(110) surface were investigated by the density functional theory(DFT) calculations. We calculated the oxygen vacancy formation energy as the function of its site around dopant Co in detail. The results showed that Co doping was accompanied by compensating oxygen hole spontaneous formation.The adsorption configurations and bindings of HCHO at different locations on the Co_xCe_(1-x)O_2(110) were presented.Four possible pathways of oxidation of formaldehyde on the catalytic surface were explored. The results suggested that formaldehyde dissociation at different adsorption sites on the doped CeO_2(110) — first forming dioxymethylene(CH_2O_2)intermediate, and then decomposing into H_2O, H_2, CO_2, and CO molecules. It was found that the presence of cobalt and oxygen vacancy significantly prompted the surface activity of CeO_2. 相似文献
68.
Elaheh Esmaeili Ali Morad Rashidi Yadollah Mortazavi Abbas Ali Khodadadi Mehdi Rashidzadeh 《Journal of Energy Chemistry》2013,22(5):717-725
In the present study, CNFs, ZnO and Al2O3 were deposited on the SMFs panels to investigate the deactivation mechanism of Pd-based catalysts in selective acetylene hydrogenation reaction. The examined supports were characterized by SEM, NH3-TPD and N2 adsorption-desorption isotherms to indicate their intrinsic characteristics. Furthermore, in order to understand the mechanism of deactivation, the resulted green oil was characterized using FTIR and SIM DIS. FTIR results confirmed the presence of more unsaturated constituents and then, more branched hydrocarbons formed upon the reaction over alumina-supported catalyst in comparison with the ones supported on CNFs and ZnO, which in turn, could block the pores mouths. Besides the limited hydrogen transfer, N2 adsorption-desorption isotherms results supported that the lowest pore diameters of Al2O3/SMFs close to the surface led to fast deactivation, compared with the other catalysts, especially at higher temperatures. 相似文献
69.
ABSTRACTQM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S4 state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)4–O(5) bond and the π*-LUMO of the Mn(V)1=O(6) bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn4O6 cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)1=O(6) bond to the σ*-LUMO of the Mn(IV)4–O(5) bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)4–O(5)]-? part is relaxed to the ?Mn(III)4?…?O(5)- structure and the cation radical [O(6)=Mn(V)1]+ ? part is relaxed to the +O(6)–Mn(IV)1? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)4->Mn(III)4 and Mn(V)1->Mn(IV)1. On the other hand, the O(5)- and O(6)+ sites generated undergo the O–O bond formation in the CaMn4O6 cluster. The Ca(II) ion in the cubane- skeleton of the CaMn4O6 cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)1=O(6) and σ*-LUMO of Mn(IV)4–O(5), indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism. 相似文献
70.
Dr. Noemi Linares Dr. Erika De Oliveira Jardim Dr. Geetu Sharma Dr. Elena Serrano Prof. Alexandra Navrotsky Prof. Dr. Javier García-Martínez 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(43):10045-10048
With the aim of understanding the thermochemistry of the introduction of mesoporosity in zeolites by using surfactants, high temperature oxide melt solution calorimetry was used to determine the change in the enthalpy of formation of USY zeolite before and after the introduction of mesoporosity. Our results confirm that this process only slightly destabilizes the zeolite by the additional surface area. However, this can be overcome by the stabilizing effect of the interactions between the surfactant and the zeolite framework. 相似文献