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41.
42.
Chemometric analysis of groundwater quality data of alluvial aquifer of Gangetic plain, North India 总被引:10,自引:0,他引:10
Kunwar P. Singh Amrita Malik Vinod K. Singh Dinesh Mohan Sarita Sinha 《Analytica chimica acta》2005,550(1-2):82-91
Water quality data set from the alluvial region in the Gangetic plain in northern India, which is known for high fluoride levels in soil and groundwater, has been analysed by chemometric techniques, such as principal component analysis (PCA), discriminant analysis (DA) and partial least squares (PLS) in order to investigate the compositional differences between surface and groundwater samples, spatial variations in groundwater composition and influence of natural and anthropogenic factors. Trilinear plots of major ions showed that the groundwater in this region is mainly of Na/K-bicarbonate type. PCA performed on complete data matrix yielded six significant PCs explaining 65% of the data variance. Although, PCA rendered considerable data reduction, it could not clearly group and distinguish the sample types (dug well, hand-pump and surface water). However, a visible differentiation between the water samples pertaining to two watersheds (Khar and Loni) was obtained. DA identified six discriminating variables between surface and groundwater and also between different types of samples (dug well, hand pump and surface water). Distinct grouping of the surface and groundwater samples was achieved using the PLS technique. It further showed that the groundwater samples are dominated by variables having origin both in natural and anthropogenic sources in the region, whereas, variables of industrial origin dominate the surface water samples. It also suggested that the groundwater sources are contaminated with various industrial contaminants in the region. 相似文献
43.
The effects of polymer chain rigidification, zeolite pore size and pore blockage on polyethersulfone (PES)-zeolite A mixed matrix membranes 总被引:1,自引:0,他引:1
Yi Li Tai-Shung Chung Chun Cao Santi Kulprathipanja 《Journal of membrane science》2005,260(1-2):45-55
The polyethersulfone (PES)-zeolite 3A, 4A and 5A mixed matrix membranes (MMMs) were fabricated with a modified solution-casting procedure at high temperatures close to the glass transition temperatures (Tg) of polymer materials. The effects of membrane preparation methodology, zeolite loading and pore size of zeolite on the gas separation performance of these mixed matrix membranes were studied. SEM results show the interface between polymer and zeolite in MMMs experiencing natural cooling is better (i.e., less defective) than that in MMMs experiencing immediate quenching. The increment of glass transition temperature (Tg) of MMMs with zeolite loading confirms the polymer chain rigidification induced by zeolite. The experimental results indicate that a higher zeolite loading results in a decrease in gas permeability and an increase in gas pair selectivity. The unmodified Maxwell model fails to correctly predict the permeability decrease induced by polymer chain rigidification near the zeolite surface and the partial pore blockage of zeolites by the polymer chains. A new modified Maxwell model is therefore proposed. It takes the combined effects of chain rigidification and partial pore blockage of zeolites into calculation. The new model shows much consistent permeability and selectivity predication with experimental data. Surprisingly, an increase in zeolite pore size from 3 to 5 Å generally not only increase gas permeability, but also gas pair selectivity. The O2/N2 selectivity of PES-zeolite 3A and PES-zeolite 4A membranes is very similar, while the O2/N2 selectivity of PES-zeolite 5A membranes is much higher. This implies the blockage may narrow a part of zeolite 5A pores to approximately 4 Å, which can discriminate the gas pair of O2 and N2, and narrow a part of zeolites 3A and 4A pores to smaller sizes. It is concluded that the partial pore blockage of zeolites by the polymer chains has equivalent or more influence on the separation properties of mixed matrix membranes compared with that of the polymer chain rigidification. 相似文献
44.
A. Zielenkiewicz K. Busserolles G. Roux-Desgranges A. H. Roux J-P. E. Grolier W. Zielenkiewicz 《Journal of solution chemistry》1995,24(7):623-632
Densities and specific heat capacities of ternary aqueous systems containing dipeptides (glycyl-glycine or L--alanyl-L--alanine) and nucleic acid bases (cytosine or thymine) or their alkyl derivatives (1,3-diethylthymine or caffeine) were determined at 25°C by flow calorimetry and flow densimetry. The partial molar volumes and heat capacities of transfer at infinite dilution of the different nucleic acid bases from water to water+dipeptide solutions were obtained therefrom. Except for the case of the transfer of cytosine to aqueous glycyl-glycine solutions where a small positive dependence of the transfer quantities was observed with the dipeptide concentration, the values of the heat capacities of transfer were in general low, positive or negative, depending on the compensation of hydrophobic-hydrophilic interactions between the dipeptide and the base. The volumes of transfer of most of the bases are very small, within the limit of the experimental error. 相似文献
45.
António Pacheco 《Queueing Systems》1994,15(1-4):289-308
The Erlang loss function, which gives the steady state loss probability in anM/M/s/s system, has been extensively studied in the literature. In this paper, we look at the similar loss probability inM/M/s/s +
c systems and an extension of it to nonintegral number of servers and queue capacity. We study its monotonicity properties. We show that the loss probability is convex in the queue capacity, and that it is convex in the traffic intensity if is below some * and concave if is greater that *, for a broad range of number of servers and queue capacities. We prove that the one-server loss system is the onlyM/M/s/s +c system for which the loss probability is concave in the traffic intensity in all its range.Research supported by Grant BD/645/90-RM from Junta Nacional de Investigação Científica e Tecnológica.On leave from: Departamento de Matemática, Instituto Superior Técnico, Av. Rovisco Pais, 1096 Lisboa Codex, Portugal. 相似文献
46.
偏最小二乘法在原子吸收光谱分析中的应用——钴和铟的同时测定 总被引:4,自引:1,他引:3
本文用偏最小二乘法(PLS)校正了火焰原子吸收分析In252.137nm对Co252.136nm的吸收线重叠干扰,对混合样中Co和In的含量进行了测定,结果令人满意。 相似文献
47.
Xiangsheng Xu 《Applied Mathematics and Optimization》1996,34(3):299-324
A partial regularity theorem is established for a particular class of weak solutions to the systemu/t– div(K(u)u)=(u)¦¦2, div((u))=0 on a bounded domain inR
N
. Under our assumptions, (u) may exhibit exponential decay, and thus the system may be degenerate. Our proof is based upon a blow-up argument.This work was supported in part by NSF Grant DMS9424448. 相似文献
48.
49.
Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations 总被引:1,自引:0,他引:1
Raymond J. Abraham Guy H. Grant Ian S. Haworth Paul E. Smith 《Journal of computer-aided molecular design》1991,5(1):21-39
Summary The CHARGE2 programme, which involves the classical calculation of both the inductive and resonance contributions to the partial atomic charges in molecules is described, and the charges and electrostatic potentials obtained presented for some illustrative examples.In substituted methanes (CH3X, CF3X, CCl3X) the effects of varying the electronegativity of the substituents and the - and -substituent contributions are clearly illustrated for a variety of substituent groups X.The problems involved in the inclusion of silicon into this scheme are detailed, together with the methods of overcoming them. The partial atomic charges ( and contributions) and electrostatic potentials for some silicon oxygen compounds are presented and discussed.The partial atomic charges from CHARGE2 for all the natural amino acids as their N-acetyl, N-methyl-amides are given and compared with those obtained from the AMBER and ECEPP/2 force fields. Considerable differences in these figures are observed, with the AMBER charges consistently much larger than those from the other two methods.The CHARGE2 partial atomic charges and electrostatic potentials for the four common nucleic acids, adenine, cytosine, guanine and thymine, are given and compared with those derived from other calculations. Again there is general similarity but also there are considerable differences, with those from the AMBER force field somewhat larger than the other methods.For previous parts in this series, see Refs. 1-7. 相似文献
50.
偏最小二乘光度法同时测定多种酚的研究及应用 总被引:6,自引:0,他引:6
利用Cu(Ⅱ)吡啶能与酚形成稳定的三元配合物的特点,研究了Cu(Ⅱ)-吡啶-酚三元显色新体系,并以偏最小二乘法建立模型预测,同时测定了模拟水样和环境水样中的对苯二酚、间苯二酚、邻苯三酚和对硝基苯酚,取得满意效果。 相似文献