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991.
A. M. Moustafa R. E. Dinnebier S. T. Nasser M. Jansen 《Crystal Research and Technology》2008,43(2):205-213
The crystal structures of the dispiro compounds 1,3,4,8,10,11‐Hexaphenyl‐13‐methyl‐1,2,8,9,13‐pentaazadispiro[4.1.4.3]tetradeca‐2,9‐dien‐6‐one ( 3a ) and 4,11‐Bis(4‐methoxyphenyl)‐13‐methyl‐1,3,8,10‐tetraphenyl‐1,2,8,9,13‐pentaazadispiro‐[4.1.4.3]tetradeca‐2,9‐dien‐6‐one ( 3b ) have been determined at room temperature from X‐ray powder diffraction data using the method of simulated annealing as implemented in the programs DASH and TOPAS. Subsequent Rietveld refinements using the data collected to 1.5 Å resolution yielded R‐Bragg values of 2.2% for ( 3a ) and 3.7% for ( 3b ). It was found, that both compounds crystallize in the monoclinc space group P 21/n with lattice parameters of a = 17.1656(5) Å, b =13.8128(3) Å, c = 16.1016(5) Å, and β = 103.7330(2)° for ( 3a ) and a = 17.2529(8) Å, b = 13.8729(5) Å, c =16.1287(10) Å, and β = 103.6910(3)° for ( 3b ). Both compounds exhibit a distorted hexagonal close type of packing (hcp) of the molecular centers of gravity. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
992.
The compounds 6,7‐dihydro‐2‐methoxy‐4‐(4‐methylphenyl)‐5H ‐benzo[6.7]cyclohepta[1,2‐b ]pyridine‐3‐carbonitrile (compound IIIa) and 4‐(4‐chlorophenyl)‐6,7‐dihydro‐2‐methoxy‐5H ‐benzo[6,7]cyclohepta[1,2‐b ]pyridine‐3‐carbonitrile (compound IIIb) were synthesized and their structures have been determined from three dimensional X‐ray data using direct method and refined by full matrix least squares with anisotropic thermal parameters for non‐hydrogen atoms to conventional R(gt) of 0.036 and 0.038 for the two compounds respectively. For compound (IIIa) the crystals are monoclinic, space group Cc, with a=11.2909 (5) Å, b=17.7755(8) Å, c=9.1437(4) Å and β=95.428(3)°, while the crystals of the second compound (IIIb) are triclinic, space group P1, with a=8.7465(3)Å, b=10.3958(3)Å, c=10.9011(4)Å, α= 108.3870(10)°, β=101.3741(12)°, γ=97.9594(12)°. The molecular structure of the two compounds have nearly the same configuration, where the cyclohepta ring takes the boat shape and the methoxy and the carbonitrile groups are attached at the same position C2 and C8. The difference occurs only at the position C4, where the substituent is methylphenyl for compound (IIIa) and chlorophenyl for the other. The bond lengths, valency angles and the hydrogen bonding were calculated and fully discussed. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
993.
994.
C.R. Sun W.M. Gibson I.J. Kim G.O. Williams M.A. Hasan A.S. Kanofsky R. Allen R.A. Carrigan B.L. Chrisman T.E. Toohig Z. Guzik T.S. Nigmanov E.N. Tsyganov A.S. Vodopianov A.B. Watson J. Kubic D.H. Stork 《Nuclear Physics B》1982,203(1):40-57
Channeling phenomena are observed for positive particles of momentum up to 250 GeV/c in a germanium crystal. The polar angular distributions of the channeled particles are compared with theoretical predictions based on a diffusion model. The results indicate that at high particle energy there may be additional mechanisms besides those operative at low energy leading to dechanneling of the particles. In spite of this, channeling effects are observed for particles incident at up to several times the critical angle, in contrast with the results from low energy channeling. Statistical equilibrium in the azimuthal angular distribution has also been observed at all measured beam momenta to about twice the calculated channeling critical angle. The breakdown of statistical equilibrium for the 2 cm crystal used occurs at an incident angle 2–3 times smaller than predicted theoretically. 相似文献
995.
Inhibition of the corrosion of carbon steel in hydrochloric acid solution by some mono- and bis-azo dyes based on 1,5-dihydroxynaphthalene was studied in relation to the concentration of inhibitors using weight loss and potentiostatic polarization techniques. The percentage inhibition efficiency calculated from two methods is in a good agreement with each other. The inhibition mechanism of the additives was ascribed to the formation of complex compound adsorbed on the metal surface. The adsorption process follows Freundlich adsorption isotherm. The formation of the complex compound was studied by conductometric and potentiometric titrations. The stability constants of the Fe-complexes were determined using the latter technique and related to the inhibition efficiency. 相似文献
996.
T. Kokulnathan T.-W. Chen S.-M. Chen F. Ahmed P.M.Z. Hasan A.L. Bilgrami S. Kumar 《Materials Today Chemistry》2022
Dimetridazole (DMD) is one of the significant antibiotic drugs of nitroimidazoles derivates that have attracted increasing attention in the medical field due to its pharmacological and toxicological activity. The development of high-performance sensors for continuous monitoring of DMD in food and environments is receiving increasing attention. Herein, an electrochemical platform was designed based on a dysprosium vanadate/halloysite nanotubes (DyV/HNTs) nanocomposite for the detection of DMD. The DyV/HNTs nanocomposite was examined by various spectroscopic and analytical techniques. The DyV/HNTs based electrochemical sensor reveals a distinctly higher electrocatalytic response to the reduction of DMD due to the good physiochemical properties compared to other electrodes. The DyV/HNTs based electrochemical sensor for DMD covered two linear ranges of 0.001–0.54 and 0.54–188 μM with a detection limit of 0.9 nm through the amperometric method, which is better than those previously reported. Furthermore, selectivity, stability, repeatability, and reproducibility studies were performed. Moreover, the fabricated DyV/HNTs sensor was successfully applied for the reliable discrimination of DMD in biological and water samples with satisfactory recovery values. The results indicated that this DyV/HNTs nanocomposite may be a promising electrochemical sensing platform for the determination of DMD. 相似文献
997.
Hasan K. M. Faridul Horváth Péter György Bak Miklós Le Duong Hung Anh Mucsi Zsuzsanna Mária Alpár Tibor 《Cellulose (London, England)》2021,28(12):7859-7875
Cellulose - Herein, natural fiber (energy reeds and rice straw) reinforced with phenol formaldehyde (PF) polymeric resin biocomposites are developed and reported in this study. The dimensions of... 相似文献
998.
Mohammad H. Alqarni Ahmed I. Foudah Aftab Alam Mohammad Ayman Salkini Prawez Alam Hasan S. Yusufoglu 《Arabian Journal of Chemistry》2021,14(2):102916
Monoterpenes, linalool and thymol have been widely used in not only the treatments of several diseases but also food flavouring, dental, perfumery, and toilet products. Plants of the several Lamiaceae family are good sources of linalool and thymol. A rapid, simple, and precise high-performance thin layer chromatography (HPTLC) method was developed for the concurrent estimation of linalool and thymol, and this method was orchestrated using the essential oils extracted from two Lamiaceae plants leaves i.e. O. basilicum and T. vulgaris. Two standards were separated using pre-coated thin-layer chromatography glass plates. The developed HPTLC method was validated by following ICH guidelines (linearity; limit of detection, LOD; limit of quantitation; specificity; accuracy; precision; and robustness). The calibration curves of both the compounds were linear (100–700 ng/spot), with a correlation coefficient (r2) of >999. The developed HPTLC method was effectively applied to the concurrent detection and quantification of linalool and thymol in commercial essential oils. 相似文献
999.
Li G Hu WZ Dong J Qian D Hsieh D Hasan MZ Morosan E Cava RJ Wang NL 《Physical review letters》2007,99(16):167002
We report an optical spectroscopy study on the newly discovered superconductor Cu0.07TiSe2. Consistent with the development from a semimetal or semiconductor with a very small indirect energy gap upon doping TiSe2, it is found that the compound has a low carrier density. Most remarkably, the study reveals a substantial shift of the screened plasma edge in reflectance towards high energy with decreasing temperature. This phenomenon, rarely seen in metals, indicates either a sizable increase of the conducting carrier concentration or/and a decrease of the effective mass of carriers with reducing temperature. We attribute the shift primarily to the latter effect. 相似文献
1000.
Previously reported experimental results indicate that photooxygenation of homochiral N-(hydroxyalkyl)-2-methylpyrroles with singlet oxygen yields trans-rather than cis-bicyclic lactams as the major product. In this study, the origin of selectivity in this reaction has been investigated with computational methods. Relative stabilities of homochiral N-(hydroxyalkyl)-2-methylpyrrole conformers and their effect on pi-facial selectivity of 1O2 were extensively studied. Stepwise and concerted reaction mechanisms, starting from the endoperoxide intermediates, were proposed and modeled in vacuum using the UB3LYP method with the 6-31+G** basis set. Solvent calculations were carried out in CH2Cl2, by means of the integral equation formalism-polarizable continuum model (IEF-PCM) at the UB3LYP/6-31+G** level of theory. Free energies of activation leading to both diastereomers were analyzed in an effort to explain the stereoselectivity and product distribution. Steric interactions among the pyrrole substituents were shown to lead to a rotational barrier higher than 10 kcal/mol. Hence, hindered internal rotation is suggested to cause one pyrrole conformer to be substantially overpopulated. This in turn has a major effect on pi-facial selectivity of 1O2, thereby favoring one endoperoxide over the other and leading to the diastereoselective synthesis of trans-pyrrolooxazolones. The importance of hindered internal rotors, for an accurate calculation of the frequency factors of a chemical reaction, has already been mentioned in the literature many times; however, in this work hindered internal rotors also seem to dictate the diastereoselective outcome of the reaction. 相似文献