全文获取类型
收费全文 | 1232篇 |
免费 | 60篇 |
国内免费 | 4篇 |
专业分类
化学 | 1036篇 |
晶体学 | 7篇 |
力学 | 23篇 |
数学 | 98篇 |
物理学 | 132篇 |
出版年
2024年 | 2篇 |
2023年 | 11篇 |
2022年 | 47篇 |
2021年 | 50篇 |
2020年 | 40篇 |
2019年 | 45篇 |
2018年 | 46篇 |
2017年 | 35篇 |
2016年 | 59篇 |
2015年 | 57篇 |
2014年 | 38篇 |
2013年 | 84篇 |
2012年 | 76篇 |
2011年 | 102篇 |
2010年 | 55篇 |
2009年 | 50篇 |
2008年 | 78篇 |
2007年 | 84篇 |
2006年 | 60篇 |
2005年 | 67篇 |
2004年 | 55篇 |
2003年 | 34篇 |
2002年 | 30篇 |
2001年 | 20篇 |
2000年 | 14篇 |
1999年 | 9篇 |
1998年 | 7篇 |
1997年 | 7篇 |
1996年 | 9篇 |
1995年 | 4篇 |
1993年 | 4篇 |
1992年 | 1篇 |
1991年 | 1篇 |
1989年 | 2篇 |
1988年 | 2篇 |
1986年 | 1篇 |
1983年 | 2篇 |
1982年 | 1篇 |
1981年 | 2篇 |
1980年 | 2篇 |
1976年 | 1篇 |
1975年 | 1篇 |
1974年 | 1篇 |
排序方式: 共有1296条查询结果,搜索用时 10 毫秒
91.
92.
Ardanova LI Get'man EI Loboda SN Prisedsky VV Tkachenko TV Marchenko VI Antonovich VP Chivireva NA Chebishev KA Lyashenko AS 《Inorganic chemistry》2010,49(22):10687-10693
Polycrystalline hydroxyapatites Ca(10-x)REE(x)(PO(4))(6)(OH)(2-x)O(x) were synthesized and studied by X-ray powder diffraction, infrared absorption, diffuse-reflectance spectroscopy, and thermogravimetry. The solubility limits x(max) of rare earth elements (REE) in Ca hydroxyapatites decreases with an increasing REE atomic number from x(max) = 2.00 for La, Pr, and Nd to x(max) = 0.20 for Yb at 1100 °C. Refinements of X-ray diffraction patterns by the Rietveld method show that REE atoms substitute for Ca preferentially at the Ca(2) sites of the apatite structure. The substitution decreases the Ca(2)-O(4) atomic distances in the calcium coordination polyhedra and increases the Ca(2)-O(1,2,3) distances. This observation shows that interatomic distances depend not only on radii of the ions involved in the substitution but also on their charges. 相似文献
93.
Churakov AV Prikhodchenko PV Lev O Medvedev AG Tripol'skaya TA Vener MV 《The Journal of chemical physics》2010,133(16):164506
The crystal structure of NH(4)(+)OOH(-) is determined from single-crystal x-ray data obtained at 150 K. The crystal belongs to the space group P2(1)/c and has four molecules in a unit cell. The structure consists of discrete NH(4)(+) and OOH(-) ions. The OOH(-) ions are linked by short hydrogen bonds (2.533 A?) to form parallel infinite chains. The ammonium ions form links between these chains (the N?O distances vary from 2.714 to 2.855 A?) giving a three-dimensional network. The harmonic IR spectrum and H-bond energies are computed at the Perdew-Burke-Ernzerhof (PBE)/6-31G(??) level with periodic boundary conditions. A detailed analysis of the shared (bridging) protons' dynamics is obtained from the CPMD simulations at different temperatures. PBE functional with plane-wave basis set (110 Ry) is used. At 10 K the shared proton sits near the oxygen atom, only a few proton jumps along the chain are detected at 70 K while at 270 K numerous proton jumps exist in the trajectory. The local-minimum structure of the space group Cc is localized. It appears as a result of proton transfer along a chain. This process is endothermic (~2?kJ/mol) and is described as P2(1)/c?2Cc. The computed IR spectrum at 10 K is close to the harmonic one, the numerous bands appear at 70 K while at 270 K it shows a very broad absorption band that covers frequencies from about 1000 to 3000?cm(-1). The advantages of the NH(4)(+)OOH(-) crystal as a promising model for the experimental and DFT based molecular dynamics simulation studies of proton transfer along the chain are discussed. 相似文献
94.
Gloria Brusotti Tatiana Adrienne Ngueyem Raffaela Biesuz Gabriele Caccialanza 《Journal of separation science》2010,33(11):1692-1697
Euphorbiaceae barks are known to contain an appreciable amount of polyphenolic compounds responsible for several biological activities. Preliminary extraction from Bridelia grandis stem bark afforded high content of polyphenols, determined by spectrophotometric methods such as Folin–Ciocalteu (for total phenols, TP) and n‐butanol‐HCl (for condensed tannins, CT). A preliminary Plackett–Burman screening design was used to identify the key factors that influence the TP and CT extraction. Between all the variables known to influence the extraction from vegetable matrixes, six were selected; maceration was chosen as traditional extraction methodology. To investigate the effect of solvents and extraction method, methanol, acetone 70% (v/v in water), centrifugation and ultrasound were chosen. A full factorial design 23 was applied to optimize the extraction procedure. The responses were obtained analyzing the extracts for their TP and CT contents determined by the above‐mentioned spectrophotometric methods. The results confirm that, within the explored domain, the optimum solvent is methanol and the optimum method is one‐cycle centrifugation. Finally, it was also compared with the effect of maceration on the considered responses. It has never given results better than centrifugation, whereas in the case of CT it represents an advantage to employ a three‐cycle centrifugation instead of one. 相似文献
95.
Tatiana Sodero 《Bulletin of the Brazilian Mathematical Society》2011,42(3):439-454
A sectional-Anosov flow is a flow for which the maximal invariant set is sectional-hyperbolic. A generalized 3-handlebody
is a compact manifold which is built from a 3-disc attaching 0, 1, 2 and 3-handles at its boundary, one at a time, by attaching
maps. We prove that there exist a class of orientable generalized 3-handlebodies supporting sectional-Anosov flows, moreover
this class of manifolds is strictly large than the previous one studied in [14]. 相似文献
96.
Emilio L. Cano Javier M. Moguerza Tatiana Ermolieva Yuri Ermoliev 《Computational Management Science》2014,11(1-2):25-44
Due to deregulations of the energy sector and the setting of targets such as the 20/20/20 in the EU, operators of public buildings are now more exposed to instantaneous (short-term) market conditions. On the other hand, they have gained the opportunity to play a more active role in securing long-term supply, managing demand, and hedging against risk while improving existing buildings’ infrastructures. Therefore, there are incentives for the operators to develop and use a Decision Support System to manage their energy sub-systems in a more robust energy-efficient and cost-effective manner. In this paper, a two-stage stochastic model is proposed, where some decisions (so-called first-stage decisions) regarding investments in new energy technologies have to be taken before uncertainties are resolved, and some others (so-called second-stage decisions) on how to use the installed technologies will be taken once values for uncertain parameters become known, thereby providing a trade-off between long- and short-term decisions. 相似文献
97.
98.
Mikhail Elyashberg Kirill Blinov Yegor Smurnyy Tatiana Churanova Antony Williams 《Magnetic resonance in chemistry : MRC》2010,48(3):219-229
The accuracy of 13C chemical shift prediction by both DFT GIAO quantum‐mechanical (QM) and empirical methods was compared using 205 structures for which experimental and QM‐calculated chemical shifts were published in the literature. For these structures, 13C chemical shifts were calculated using HOSE code and neural network (NN) algorithms developed within our laboratory. In total, 2531 chemical shifts were analyzed and statistically processed. It has been shown that, in general, QM methods are capable of providing similar but inferior accuracy to the empirical approaches, but quite frequently they give larger mean average error values. For the structural set examined in this work, the following mean absolute errors (MAEs) were found: MAE(HOSE) = 1.58 ppm, MAE(NN) = 1.91 ppm and MAE(QM) = 3.29 ppm. A strategy of combined application of both the empirical and DFT GIAO approaches is suggested. The strategy could provide a synergistic effect if the advantages intrinsic to each method are exploited. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
99.
Robson Miranda da Gama Tatiana Santana Balogh Simone França Tânia Cristina Sá Dias Valcinir Bedin André Rolim Baby Jivaldo do Rosário Matos Maria Valéria Robles Velasco 《Journal of Thermal Analysis and Calorimetry》2011,106(2):399-405
This research aimed the effect on Caucasian hair tresses treated with oxidative hair dye, either incorporated or not with
conditioners agents, analyzed by Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TG). The formulations
of hair dyes were emulsions oil-in-water with light blond color containing or not the conditioners agents: silanetriol and
panthenol; PEG-12 dimethicone; hydrolyzed silk, hydrolyzed milk protein, and lactose. Each dye (1.5 g) was applied in the
hair tress (2.0 g/20.0 cm of length of Caucasian light-brown), previously treated, more 1.5 g of hydrogen peroxide 20 vol
during 40 min. Evaluation of mass loss of the different hair sample demonstrates that these chemical hair treatments impair
the hair fibers, reduced their moisture content with respect to the untreated hair. The incorporation of conditioners agents
(silanetriol and panthenol; PEG-12 dimethicone; hydrolyzed silk, hydrolyzed milk protein, and lactose) in oxidative hair dyes
types did not decrease the damage caused on the tresses by the coloring process quantified by TG/DTG. However, the DSC curves
demonstrated those conditioners agents (silanetriol and panthenol; PEG-12 dimethicone) dislocated the beginning of the third
event in 20 °C and they inhibited the presence of the fourth event, having characterized thermal protection to the hair. 相似文献
100.