全文获取类型
收费全文 | 15013篇 |
免费 | 2597篇 |
国内免费 | 2159篇 |
专业分类
化学 | 15201篇 |
晶体学 | 180篇 |
力学 | 279篇 |
综合类 | 78篇 |
数学 | 109篇 |
物理学 | 3922篇 |
出版年
2024年 | 54篇 |
2023年 | 207篇 |
2022年 | 909篇 |
2021年 | 768篇 |
2020年 | 819篇 |
2019年 | 614篇 |
2018年 | 494篇 |
2017年 | 517篇 |
2016年 | 759篇 |
2015年 | 679篇 |
2014年 | 752篇 |
2013年 | 1369篇 |
2012年 | 930篇 |
2011年 | 805篇 |
2010年 | 719篇 |
2009年 | 795篇 |
2008年 | 862篇 |
2007年 | 914篇 |
2006年 | 838篇 |
2005年 | 764篇 |
2004年 | 755篇 |
2003年 | 706篇 |
2002年 | 488篇 |
2001年 | 433篇 |
2000年 | 439篇 |
1999年 | 398篇 |
1998年 | 364篇 |
1997年 | 268篇 |
1996年 | 224篇 |
1995年 | 225篇 |
1994年 | 188篇 |
1993年 | 118篇 |
1992年 | 123篇 |
1991年 | 65篇 |
1990年 | 50篇 |
1989年 | 61篇 |
1988年 | 43篇 |
1987年 | 33篇 |
1986年 | 33篇 |
1985年 | 41篇 |
1984年 | 25篇 |
1983年 | 8篇 |
1982年 | 12篇 |
1981年 | 22篇 |
1980年 | 22篇 |
1979年 | 12篇 |
1978年 | 9篇 |
1977年 | 8篇 |
1976年 | 6篇 |
1975年 | 10篇 |
排序方式: 共有10000条查询结果,搜索用时 125 毫秒
101.
4-Isopropoxalyl-1,5-diphenyl-2,3-dihydro-2,3-pyrroledione reacts with thiosemicarbazide to form (3aS*)(4R*)(6aR*)-4,6a-dihydroxy-4-isopropoxycarbonyl-1-thiocarbamoyl-3,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-d]pyrazol-6-one. The molecular and crystal structure of the latter was studied by single crystal X-ray diffraction. 相似文献
102.
Xu Wen-Yang Guo Chang-Jie Do Tao 《Journal of inclusion phenomena and macrocyclic chemistry》1986,4(4):325-331
A member of the novel family of crystalline microporous aluminophosphates, AlPO4-12, was synthesized by hydrothermal crystallization using different aluminum-containing compounds. Three new crystalline phases were obtained by varying the composition of the reaction mixture. The effect of the synthesis conditions on the hudrothermal process and the kinetics of crystallization are discussed. The apparent activation energies obtained for AlPO4-12 are 20.9 and 14.6 kcal/mol for nucleation and crystallization, respectively. The adsorption isotherms of one AlPO4-12 product were measured. 相似文献
103.
Atomic populations and localization [lambda(A)] and delocalization [delta(A,B)] indices (LIs and DIs) are calculated for a large set of molecules at the Hartree-Fock (HF), MP2, MP4(SDQ), CISD, and QCISD levels with the 6-311++G(2d,2p) basis set. The HF method and the conventional correlation methods [MP2, MP4(SDQ), CISD, and QCISD] yield distinct sets of LIs and DIs. Yet, within the four conventional correlation methods the differences in atomic populations and LIs and DIs are small. Relative to HF, the conventional correlation methods [MP2, MP4(SDQ), CISD, QCISD] yield virtually the same LIs and DIs for molecules with large charge separations while LIs and DIs that differ significantly from the HF values--the LIs are increased and DIs decreased--are obtained for bonds with no or small charge separations. Such is the case in the archetypal homopolar molecules HC(triple bond)CH, H2C=CH2, CH3-CH3, and "protonated cyclopropane" C(3)H(7) (+), in which case the bonding may be atypical. Relative to HF, the typical effect of the conventional correlation methods is to decrease the DI between atoms. 相似文献
104.
Shiraz A. Markarian Liana S. Gabrielyan Karine R. Grigoryan 《Journal of solution chemistry》2004,33(8):1005-1015
FT IR ATR spectra of urea/dimethyl sulfoxide and urea/diethyl sulfoxide mixtures in the S=O and N—H stretching vibration regions at different molar ratios have been measured. On the basis of the band deconvolution data, various types of intermolecular associated forms, including dimers and hydrogen-bonded urea–sulfoxide complexes, have been revealed. The latter has been confirmed also by ab initio calculations. 相似文献
105.
聚电解质溶液中2.6-ANS探针的荧光谱研究 总被引:1,自引:0,他引:1
本文合成了2.6—ANS荧光探针分子,并在含有不同外加盐的NaPSS溶液中测定了探针的荧光发射光谱。结果表明:探针的荧光强度随Cs增大而增大,而探针光谱的最大发射波长和半波宽度随Cs增大而减小。当Cs达到一定值时,荧光谱参数与Cs关系曲线出现转折点,此时聚离了链以“类胶束”状态存在。 相似文献
106.
J?rg Libuda 《Chemphyschem》2004,5(5):625-631
Reaction kinetics on nanometer-scale particles are different from those on extended surfaces of bulk materials. This fact has been utilized for a long time to empirically maximize the performance of heterogeneous catalysts, but the understanding of the underlying effects is poor at the microscopic level. Modern molecular beam-based methods, however, allow us to derive very detailed kinetic information on catalytically active surfaces. In combination with structurally highly controlled model catalysts, microscopic insights into the activity and selectivity of specific reaction centers on catalyst nanoparticles can be obtained. This combined approach is illustrated through simple model reactions. 相似文献
107.
烷基季铵盐插层剂的合成及应用 总被引:1,自引:0,他引:1
Three novel intercalation agents were synthesized for the first time, which arose from oleic acid diethylenetriamine or triethylenetetramine 3 - chloro - 2 - hydroxypropy trimethylammonium choride (CHPTA) and chloroethanol. Organophilic vermicullites were synthesized from sodium type vermiculite by cation exchange with new intercalation agents. The results of X - ray diffraction study showed that the gallery distance of the organophilic vermiculite was enlarged from 1 nm to 5 nm or more. A new idea of making design for intercalation agent was provided. 相似文献
108.
反对数微分简易示波伏安法的研究 总被引:2,自引:0,他引:2
在获得微分简易地波伏安图的实验线路中,增加了反对数装置,提出了反对数微分简易示波伏安法。该方法被应用于铝合金中微量铜和分子筛中微量钴的测定,获得了满意结果。 相似文献
109.
Brian D. Hudson Ashley R. George Martyn G. Ford David J. Livingstone 《Journal of computer-aided molecular design》1992,6(2):191-201
Summary Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study. 相似文献
110.