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981.
2,4-Dihydroxyphenylthioamide derivatives modified on the N-aryl ring have substantial fungicidal activity. To determine their quantitative structure–activity relationships their lipophilicity was determined by use of the chromatographic methods column liquid chromatography and thin-layer chromatography. Methanol–water systems were used as mobile phases and the linear dependences of retention (RM and log k) on volume fraction of organic modifier, φ, were determined. This enabled precise determination of lipophilicity (RMw and log kw) by extrapolation. Correlations were found between quantities characterizing the lipophilicity of the compounds. Deviations enabled discovery of compound structural features which increase or reduce lipophilicity. When these data were correlated with biological activity against the phytopathogenic fungi Alternaria alternata and Botrytis cinerea parabolic dependences were obtained. 相似文献
982.
A structure and kinetic stability study on some complexes with the general formula MN5, where M are the alkali-metal atoms, Li, Na, K, and Rb, has been carried by using hybrid density functional methods. Complex B (C2v) with two points of attachment to the N5 ring is the most energetically favored for all metals considered here. Pyramidal structures A (C5v) are kinetically unstable and they rapidly rearrange to the most stable planar structures B. At the QCISD(T)/6-311 + G*//B3LYP/6-311 + G* + ZPE (B3LYP/6-311 + G*) level, the decomposition barrier heights of LiN5-B, NaN5–B, KN5-B, and RbN5-B are predicted to be 19.9, 22.0, 22.5, and 23.0 kcal/mol, respectively. In addition, the rate constants of the decomposition reaction MN5-B MN3 + N2 (M + Li, Na, K, and Rb) are also predicted using conventional transition state theory and canonical variational transition state theory, respectively. 相似文献
983.
E. Asmus und W. Klank 《Fresenius' Journal of Analytical Chemistry》1973,265(4):267-268
Zusammenfassung 2-Chinolylfluoron bildet mit Zirkonium einen 14-Komplex, dessen Extinktionskoeffizient bei 539 nm
max=165000 ist. Das Bestimmungsverfahren für ZrOCl2 in Speisesalz wird auf dieser Farbreaktion aufgebaut.
Photometric determination of ZrOCl2 in table salt
2-Quinolylfluorone forms a 14-complex with zirconium. Owing to its high extinction coefficient max=165000 at =539 nm the complex can be used for the determination of ZrOCl2 in table salt.相似文献
984.
The thermal characterization (DSC and TG) of benzylcellulose derivatives prepared from the benzylation of bleached Pinus Kraft
pulp is described in this paper. The objective of this study was to examine the changes in glass transition temperature (T
g) and the thermal stability of the benzylated product as a function of the benzylation extent (degree of substitution). The
DSC analysis showed that the benzylcelluloses can display glass transition temperature at two different regions and that thermal
stability is slightly higher than that of the parent cellulose.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
985.
The iterative difference-dedicated CI method (IDDCI) has been applied to determine excitation energies in small systems for
which benchmark FCI and other high-level calculations exist. Transitions to excited singlet and triplet states in Be and vertical
transitions in CH+, BH and CH2 are reported. The deviations from FCI results are lower than 0.1 eV and compare advantageously with SDCI including size-consistency
corrections, (SC)2SDCI, and with coupled cluster calculations including the effect of triples, especially for the states which have a predominant
double excitation character. The IDDCI procedure has been speeded up by using smaller subspaces for optimizing the molecular
orbitals.
Received: 17 January 1997 / Accepted: 31 July 1997 相似文献
986.
N. V. Avramenko O. V. Kargina O. V. Prazdnichnaya M. N. Phrolov I. D. Jurgens S. L. Davidova 《Journal of Thermal Analysis and Calorimetry》1996,46(2):347-352
A new type of three-component interpolymer complexes (3IPCM) formed by two similarly charged polyelectrolytes and an oppositely charged low molar mass compound was studied by DSC, NMR and X-ray methods. The low molar mass monobasic compounds in these complexes act as mediators. This type of complexes differs from earlier-obtained 3IPCM, which contained a dibasic low molar mass mediator.The present 3IPCM were obtained from two polymers (polyacrylic acid and sodium polyphosphate) and bases such as 4-vinylpyridine and 2-methyl-5-vinylpyridine.The authors express their acknowledgement to the Russian Science Foundation for sponsoring research projects 93-03-5650 and 93-03-18682. 相似文献
987.
湿式氧化工艺中颗粒Ru催化剂的活性和稳定性 总被引:1,自引:0,他引:1
分别采用传统成型法和新的成型法制备了一系列以CeO2为主要成分的载体,将贵金属Ru浸渍在这些载体上制备了不同的催化剂.对催化剂的比表面积和机械强度进行了表征,并通过湿式氧化乙酸的静态实验和湿式氧化苯酚的动态实验分别考察了催化剂的活性和稳定性.结果表明,Ru负载在采用新方法成型的载体上制得的催化剂具有更大的比表面积.向CeO2中掺杂Zr能增大载体的比表面积.新方法制备的催化剂Ru/ZrO2-CeO2催化湿式氧化乙酸具有良好的活性,化学需氧量(COD)去除率为98%.在110h的催化湿式氧化苯酚反应中,苯酚和COD的去除率维持在96%左右,反应过程中活性组分的溶出浓度很小,催化剂表面有少量的积炭,但积炭在300℃能够被完全氧化.因而催化剂具有较好的稳定性和工业应用可能性. 相似文献
988.
989.
The determination of trace elements concentration in water by electrothermal atomic absorption spectrometry (ETAAS) is a common and well established technique in many chemical testing laboratories. However, the evaluation of measurement uncertainty results is not systematically implemented. The paper presents an easy step-by-step example leading to the evaluation of the combined standard uncertainty of copper determination in water using ETAAS. The major contributors to the overall measurement uncertainty are identified due to amount of copper in water sample that mainly depends on the absorbance measurements, due to certified reference material and due to auto-sampler volume measurements. The practical aspects how the traceability of copper concentration in water can be established and demonstrated are also pointed out. 相似文献
990.