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The structure of coesite has been determined at ten pressures up to a maximum of 8.68 GPa by single-crystal X-ray diffraction.
The dominant mechanism of compression is the reduction of four of the five independent Si–O–Si angles within the structure.
There is no evidence of the fifth linkage, Si1–O1–Si1, deviating from 180°. Some Si–O bond distances also decrease by up to
1.6% over the pressure range studied. The pattern of Si–O–Si angle reduction amounts to a rotation of the Si2 tetrahedron
around the [001] direction. This rotation induces significant internal deformation of the Si1 tetrahedron. Comparison of the
experimental data with rigid-unit distance least-squares simulations of coesite suggests that this pattern of compression,
the anomalous positive values of both s23 and K′′ in the equation of state of coesite, its high elastic anisotropy and the unusual straight Si1–O1–Si1 linkage within
the structure are all consequences of the connectivity of the tetrahedral framework.
Received: 11 July 2002 / Accepted: 14 January 2003
Acknowledgements The help of Christian Baerlocher of ETH Zurich in providing both the DLS-76 software and advice in its use is gratefully
acknowledged, as are discussions with Paul Ribbe of Virginia Tech and the comments of two anonymous reviewers. The data analysis
was supported by the National Science Foundation under grant EAR-0105864 to N.L. Ross and R.J. Angel. 相似文献
15.
Interatomic potential parameters have been derived at simulated temperatures of 0 K and 300 K to model pyrite FeS2. The predicted pyrite structures are within 1% of those determined experimentally, while the calculated bulk modulus is within 7%. The model is also able to simulate the properties of marcasite, even though no data for this phase were included in the fitting procedure. There is almost no difference in results obtained for pyrite using the two potential sets; however, when used to model FeS2 marcasite, the potential fitted at 0 K performs better. The potentials have also been used to study the high-pressure behaviour of pyrite up to 44 GPa. The calculated equation of state gives good agreement with experiment and shows that the Fe–S bonds shorten more rapidly that the S–S dimer bonds. The behaviour of marcasite at high pressure is found to be similar to that of pyrite. 相似文献
16.
L.L. Chyi 《International Journal of Coal Geology》1997,33(4):317-331
The Harlem coal is postulated to have been deposited in raised-bog settings. It was initially deposited as low-sulfur peat, but groundwater of a later origin altered portions of it to high-sulfur coal. The total sulfur content of 172 samples from 31 locations on a moisture- and ash-free basis have a quadrimodal distribution with two major modes at 0.75% S and 2.0%S. Multiple sampling and analyses at specific mine sites indicate that the addition of sulfur of a later origin occurred either laterally adjacent to sandstone channels or vertically adjacent to faults. Significant sulfur addition also occurred above clay partings at these sites. The original low-sulfur nature is preserved where the coal bed is isolated from descending groundwater by a thick impervious layer. Trace-element analyses show high concentrations of mobile elements such as Na and Mn in the high-sulfur coals. 相似文献
17.
地理信息系统(GIS)在地下水领域中的应用及最新进展 总被引:6,自引:0,他引:6
GIS是信息时代的产物,在地下水资源领域的研究日益广泛和深入。笔者着重阐述了GIS在地下水领域的应用及最新发展,同时对GIS在地下水应用中的优点和局限性提出了自己的观点。 相似文献
18.
砷的仪器分析方法新进展 总被引:2,自引:0,他引:2
砷是自然界中广泛存在的一种物质在工业,农业,医药等方面应用很广。笔者着重介绍了近几个来砷的仪器分析方法新进展,主要有光度法,电化学法,原子吸收法等。 相似文献
19.
地质学家重视研究深部(变质)CO_2对古气候的影响 总被引:5,自引:0,他引:5
地质学家重视研究深部(变质)CO2对古气候的影响贾跃明(中国地质矿产信息研究院,北京,100037)近几年来,随着过去全球变化研究的兴起,地质学家越来越重视地质历史时期影响大气CO2浓度的因素的调查。不少人认为,变质作用和火山活动可能是过去大气中CO... 相似文献
20.
第二松花江干流区地下水信息管理数据库系统开发与研制 总被引:1,自引:0,他引:1
介绍了第二松花江干流区地下水信息管理数据库系统的开发环境及总体设计。在分析与地下水有关的数据信息的基础上,提出了较为合理的地下水信息管理数据库系统的结构。将该系统按其功能分为5个子系统基础子系统、数据信息管理子系统、区域信息管理子系统、动态绘图子系统、水资源评价子系统,并对5个子系统的功能进行了详细阐述。 相似文献