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91.
Modeling of retention of adrenoreceptor agonists and antagonists on polar stationary phases in hydrophilic interaction chromatography: a review 总被引:1,自引:0,他引:1
Retention prediction models for reversed-phase liquid chromatography (RPLC) have been extensively studied owing to the fact
that RPLC remains the most widely used chromatographic technique especially in the field of pharmaceutical and biomedical
analyses. However, RPLC is not always the method of choice for the analysis of some compounds that have high polarity. Hydrophilic
interaction chromatography (HILIC) has been gaining interest in the last few years as an alternative option to RPLC for the
analysis of polar and hydrophilic analytes. HILIC is a variant of normal-phase liquid chromatography, but utilizes water in
a water-miscible organic solvent as the eluent in conjunction with a hydrophilic stationary phase. The present review aims
to summarize recent contributions on the development of retention prediction models for a group of basic analytes, namely,
the adrenoreceptor agonists and antagonists, on different polar stationary phases. The use of multiple linear regression and
artificial neural networks in model building is highlighted. 相似文献
92.
Zhen-Dan Shi Omid Motabar Ehud Goldin Ke Liu Noel Southall Ellen Sidransky Christopher P. Austin Gary L. Griffiths Wei Zheng 《Analytical and bioanalytical chemistry》2009,394(7):1903-1909
Alpha-galactosidase A hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins in lysosomes. Mutations
in α-galactosidase cause lysosomal accumulation of the glycosphingolipid, globotriaosylceramide, which leads to Fabry disease.
Small-molecule chaperones that bind to mutant enzyme proteins and correct their misfolding and mistrafficking have emerged
as a potential therapy for Fabry disease. We have synthesized a red fluorogenic substrate, resorufinyl α-d-galactopyranoside, for a new α-galactosidase enzyme assay. This assay can be measured continuously at lower pH values, without
the addition of a stop solution, due to the relatively low pK
a of resorufin (~6). In addition, the assay emits red fluorescence, which can significantly reduce interferences due to compound
fluorescence and dust/lint as compared to blue fluorescence. Therefore, this new red fluorogenic substrate and the resulting
enzyme assay can be used in high-throughput screening to identify small-molecule chaperones for Fabry disease.
Zhen-Dan Shi and Omid Motabar contributed equally to this work 相似文献
93.
A Th(IV) compound, [Th(TFSI)4(HTFSI)].2H2O [where TFSI = N(SO2CF3)2], has been synthesized and characterized using elemental analysis, thermogravimetric analysis, and vibrational spectroscopy. The analysis suggests that the TFSI anion coordinates to the metal center via the sulfonyl oxygens as well as provides evidence for the coordination of HTFSI. The voltammetric behavior of this compound has been studied in the room-temperature ionic liquid [Me3NnBu][TFSI], and results show that Th(IV) is reduced to Th(0) in this ionic liquid in a single reduction step. Analysis of cyclic voltammograms shows that an insoluble product is being formed at the electrode surface, which is attributed to the formation of ThO2 by reaction with water. The E0 value for the reduction of Th(IV) to Th(0) has been determined to be -2.20 V (vs Fc+/Fc; -1.80 V vs SHE). A comparison of this E0 value with those obtained for Th(IV) reduction in a LiCl-KCl eutectic (400 degrees C), water, and nonaqueous solvents shows that the reduction in [Me3NnBu][TFSI] is easier to accomplish than that in these other solvents. 相似文献
94.
Solomon GC Gagliardi A Pecchia A Frauenheim T Di Carlo A Reimers JR Hush NS 《The Journal of chemical physics》2006,124(9):94704
We present results for a simulated inelastic electron-tunneling spectra (IETS) from calculations using the "gDFTB" code. The geometric and electronic structure is obtained from calculations using a local-basis density-functional scheme, and a nonequilibrium Green's function formalism is employed to deal with the transport aspects of the problem. The calculated spectrum of octanedithiol on gold(111) shows good agreement with experimental results and suggests further details in the assignment of such spectra. We show that some low-energy peaks, unassigned in the experimental spectrum, occur in a region where a number of molecular modes are predicted to be active, suggesting that these modes are the cause of the peaks rather than a matrix signal, as previously postulated. The simulations also reveal the qualitative nature of the processes dominating IETS. It is highly sensitive only to the vibrational motions that occur in the regions of the molecule where there is electron density in the low-voltage conduction channel. This result is illustrated with an examination of the predicted variation of IETS with binding site and alkane chain length. 相似文献
95.
Thalictrum is an important plant genus that is widely used in traditional medicine. In this review considerable attention has been given to triterpenoid saponins in connection with their specific distribution in the Thalictrum genus and with their biological activity. All other non-alkaloid compounds isolated from the Thalictrum genus are also reviewed; these metabolites are discussed in relation to their structural features and to their role in the plants. 相似文献
96.
This paper reviews recent progress in the nascent field of semiconductor optical fibres, from the fundamentals through to device demonstration. The incorporation of semiconductor materials into both the step‐index and microstructured fibre geometries provides a route to introducing new optoelectronic functionality into existing glass fibre technologies. Herein, the various fabrication methods that have been developed as of to date are described, and their compatibility with the different semiconductor materials and fibre designs discussed. Results will be presented on the optical transmission properties of several fibre types, with particular attention being paid to the observation of nonlinear propagation in silicon core fibres. Finally, some speculation regarding the future prospects and applications of this new class of fibre will be provided. 相似文献
97.
Ernesto Nungesser Lars Andersson Soumyajit Bose Alan A. Coley 《General Relativity and Gravitation》2014,46(1):1-23
Using the methods developed for different Bianchi class A cosmological models we treat the simplest Bianchi class B model, namely Bianchi type V. The future non-linear stability for solutions of the Einstein–Vlasov system is demonstrated and it is shown that these solutions are asymptotically stable to the Milne solution. Within the isotropic solutions of the Einstein–Vlasov system the spatially flat Friedmann solution is unstable within this class, and expanding models tend also to the Milne solution. 相似文献
98.
5-N-Acetyl-5-N,4-O-oxazolidinone protected α- and β-sialyl phosphates react with allyltributylstannane and a variety of trimethylsilyl enol ethers to give α-sialyl C-glycosides in high yield and excellent selectivity. Elimination to give the 2,3-glycal is minimized by the presence of the oxazolidinone ring. The oxazolidinone ring can be subsequently cleaved under mild conditions at room temperature leaving in place the native acetamide group. 相似文献
99.
Nebra N Ladeira S Maron L Martin-Vaca B Bourissou D 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(27):8474-8481
In the course of our investigations on polymetallic complexes derived from 1,3-bis(thiophosphinoyl)indene (Ind(Ph(2)P=S)(2)), we observed original fluxional behavior and report herein a joint experimental/computational study of this dynamic process. Starting from the indenylidene chloropalladate species [Pd{Ind(Ph(2) P=S)(2)}Cl](-) (1), the new Pd(II)···Rh(I) hetero-bimetallic pincer complex [PdCl{Ind(Ph(2) P=S)(2)}Rh(nbd)] (2; nbd=2,5-norbornadiene) was prepared. X-ray crystallography and DFT calculations substantiate the presence of a d(8)···d(8) interaction. According to multinuclear variable-temperature NMR spectroscopic experiments, the pendant {Rh(nbd)} fragment of 2 readily shifts in solution at room temperature between the two edges of the SCS tridentate ligand. To assess the role of the pincer-based polymetallic structure on this fluxional behavior, the related monometallic Rh complex [Rh{IndH(Ph(2) P=S)(2)}(nbd)] (3) was prepared. No evidence for a metal shift was observed in that case, even at high temperature, thus indicating that inplane pincer coordination to the Pd center plays a crucial role. The previously described Pd(II)···Ir(I) bimetallic complex 4 exhibited fluxional behavior in solution, but with a significantly higher activation barrier than 2. This finding demonstrates the generality of this metal-shift process and the strong influence of the involved metal centers on the associated activation barrier. DFT calculations were performed to shed light onto the mechanism of such metal-shift processes and to identify the factors that influence the associated activation barriers. Significantly different pathways were found for bimetallic complexes 2 and 4 on one hand and the monometallic complex 3 on the other hand. The corresponding activation barriers predicted computationally are in very good agreement with the experimental observations. 相似文献
100.