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481.
482.
Modeling of dioctahedral 2:1 phyllosilicates by means of transferable empirical potentials 总被引:1,自引:0,他引:1
C. I. Sainz-Diaz A. Hernández-Laguna M. T. Dove 《Physics and Chemistry of Minerals》2001,28(2):130-141
Dioctahedral 2:1 phyllosilicates with different interlayer charge have been studied theoretically by using transferable empirical
interatomic potentials. The crystal structures of pyrophyllite, muscovite, margarite, beidellite, montmorillonite, and different
smectites and illites have been simulated. The interatomic potentials were able to reproduce the experimental structure of
phyllosilicates with high, medium and low interlayer charge. The calculated structures are in agreement with experiment for
the main structural features of the crystal lattice. The effect of the cation substitution in the octahedral and tetrahedral
sheets on the structural features has been also studied. Good linear relationships have been found, and the calculated effects
are consistent with experimental results. Some unknown structural features of the crystal structures of clays are predicted
in this work.
Received: 8 March 2000 / Accepted: 19 September 2000 相似文献
483.
Polarized electronic single crystal spectra of natural Fe2+ ion-bearing oxygen-based minerals, in which ferrous ions enter octahedral sites of different symmetry and distortion (olivine,
cordierite, ortho- and clinopyroxene, amphibole), eightfold sites in garnet (almandine) and clinopyroxene (M2), and tetrahedral
sites in spinel, were studied at temperatures from 300 to ca. 600 K. In the minerals studied, the spin-allowed bands of Fe2+ display rather variable temperature behaviour. In most cases, due to the thermal expansion of the Fe2+-bearing polyhedra, bands shift to lower energies upon increasing temperature, though there are some exceptions to this rule:
in cases of other than sixfold octahedral or close to octahedral coordination, in almandine and spinel the bands shift to
higher energies, which can be explained by an increase in distortions of the Fe2+-bearing polyhedra. Splitting of the excited 5
E
g-level of Fe2+ ions usually, but not always, increases with temperature, reflecting thermally induced increase in distortion of the Fe2+-bearing sites in the minerals studied. Integral intensities of the bands in question do not always obey the general rule,
according to which intensity should increase with temperature, when the 3d
N-centred site is centrosymmetric, or should remain unchanged when the 3d
N site lacks an inversion centre. The experimental results show that the response of the characteristics of absorption bands
such as width, intensity and energy caused by dd transitions of Fe2+ in oxygen-based minerals to increasing temperature is not always uniform and is at variance with expectation. This temperature
dependence cannot be used directly to solve band assignment problems, as earlier proposed in the literature.
Received: 22 December 1999 / Accepted: 30 October 2000 相似文献
484.
485.
Free cupric ion concentrations and Cu complexation in selected Swiss lakes and rivers 总被引:1,自引:0,他引:1
Hanbin Xue Andrea Oestreich David Kistler Laura Sigg 《Aquatic Sciences - Research Across Boundaries》1996,58(1):69-87
[Cu2+] and Cu complexation parameters in some selected freshwater systems in Switzerland were determined by the technique of ligand-exchange and DPCSV. Results from the water columns of some eutrophic and oligotrophic lakes are presented and compared to small acid lakes. Cu is strongly complexed by organic ligands which with very high stability constants at low concentrations are probably biologically produced, as indicated by the seasonal variations in the eutrophic lakes and by the relationship between Cu complexation and algal activity in the eutrophic (pCu=15–16), oligotrophic (pCu=13–14) and acidic (pCu=9–10) lakes. The extent of Cu complexation in river waters was generally lower than in the eutrophic lakes, at similar DOC levels. No obvious correlation between Cu complexation and DOC was observed, indicating that Cu complexing ligands are specific organic compounds. 相似文献
486.
R. N. Colvile T. W. Choularton J. N. Cape B. J. Bandy K. N. Bower R. A. Burgess T. J. Davies G. J. Dollard M. W. Gallagher K. J. Hargreaves B. M. R. Jones S. A. Penkett R. L. Storeton-West 《Journal of Atmospheric Chemistry》1996,24(3):211-239
Four case studies are described, from a three-site field experiment in October/November 1991 using the Great Dun Fell flow-through reactor hill cap cloud in rural Northern England. Measurements of total odd-nitrogen nitrogen oxides (NO
y
) made on either side of the hill, before and after the air flowed through the cloud, showed that 10 to 50% of the NO
y
, called NO
z
, was neither NO nor NO2. This NO
z
failed to exhibit a diurnal variation and was often higher after passage through cloud than before. No evidence of conversion of NO
z
to NO3
- in cloud was found. A simple box model of gas-phase chemistry in air before it reached the cloud, including scavenging of NO3 and N2O5 by aerosol of surface area proportional to the NO2 mixing ratio, shows that NO3 and N2O5 may build up in the boundary layer by night only if stable stratification insulates the air from emissions of NO. This may explain the lack of evidence for N2O5 forming NO3
- in cloud under well-mixed conditions in 1991, in contrast with observations under stably stratified conditions during previous experiments when evidence of N2O5 was found. Inside the cloud, some variations in the calculated total atmospheric loading of HNO2 and the cloud liquid water content were related to each other. Also, indications of conversion of NO
x
to NO
z
were found. To explain these observations, scavenging of NO
x
and HNO2 by cloud droplets and/or aqueous-phase oxidation of NO2
- by nitrate radicals are considered. When cloud acidity was being produced by aqueous-phase oxidation of NO
x
or SO2, NO3
- which had entered the cloud as aerosol particles was liberated as HNO3 vapour. When no aqueous-phase production of acidity was occurring, the reverse, conversion of scavenged HNO3 to particulate NO3
-, was observed. 相似文献
487.
Absorption cross-section measurements of NO2 performed in our laboratory have been extended to the 200–300 nm region at ambient temperature. Low pressures have been used, limiting the effects of the dimer N2O4 which has an absorption cross-section from one to two orders of magnitude larger than that of NO2 in this region. The results have been compared to those of previous authors and are now available for atmospheric purposes at 0.01 nm intervals.Unité de Recherche Associée au CNRS. 相似文献
488.
Ground-based visible differential absorption spectrometry during twilight has been used for NO2 total column observations at the Antarctica Peninsula, Marambio Base (64S, 56W), during the austral spring of 1989 (9 September to 25 November).Results show moderate NO2 vertical column levels of 1.5 to 2.5×1015 molec cm-2 in the morning and 2 to 3×1015 molec cm-2 in the evening until middle October, highly modulated by planetary wave activity. From that date until the end of the period, a steady increase occurs which is associated with the rising of lower stratosphere temperature as the vortex weakens, reaching values of 5×1015 molec cm-2 in late November, with small a.m.-p.m. differences. NO2 is found to be positively correlated to both total ozone and 50 hPa temperature during the entire spring. However, when analyzing the departures from linear trends, a highly negative correlation has been observed from day 301 onwards. 相似文献
489.
本文试图建立一个产生低纬Pi2 脉动的亚暴三维电流体系模型.用这个模型可以模拟地球表面不同纬度和经度上记录的Pi2脉动的波形和偏振图,与低纬Pi2脉动的多台观测结果基本相符.从而定量地解释了Pi2脉动和亚暴电流体系的关系. 相似文献
490.
中低纬地区地磁脉动的研究 总被引:1,自引:0,他引:1
杨少峰 《地震地磁观测与研究》1992,13(1):50-57
近年来我们对中低纬地区地磁脉动进行了大量的观测和研究。本文不仅介绍了观测仪器的设计、台网设置及数据处理方法。而且还简要地介绍了一些主要科研成果,如低纬Pc3脉动特点,低纬Pi2脉动偏振特性。南极地区的地磁脉动观测结果,以及在磁暴和太阳耀斑期间在低纬地区观测的地磁脉动。这对于进一步认识中低纬地区地磁脉动是十分有益的。 相似文献