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81.
In the reaction of methane and carbon dioxide to C2 hydrocabons under non-equilibrium plasma, methane conversion was decreased,but selectivity of C2 hydroxarbons was increased when using La2O3/γ-Al2O3 as catalyst. So the yield of C2 hydrocarbons was higher than using plasma alone. The synergism of La2O3/γ-Al2O3 and plasma gave methane conversion of 24.9% and C2 yield of 18.1%. The distribution of C2 hydrocarbons changed when Pd-La2O3/γ-Al2O3 was used as catalyst,the major C2 product was ethylene. 相似文献
82.
83.
Vapor-liquid equilibria have been investigated experimentally for the nitrogen-isobutane system at temperatures from 120 K
to 220 K and at pressures up to 150 bar. Below 126.5 K, two liquid phases were observed as pressure was increased to near
the vapor pressure of pure nitrogen. The equilibrium ratio of nitrogen in the binary system and the Henry’s law constants
for nitrogen in isobutane were determined from experimental data. The experimental phase equilibrium data were correlated
by means of the Peng-Robinson equation of state. 相似文献
84.
Compasses are called rusty, if one can draw only the unit circle with them. We prove that from two points A and B, with only rusty compasses, one can draw the points of k-section of AB, and all the vertices of a regular n-gon which has a side AB, where k is any integer greater than 1, and n=3, 4, 5, 6, 8, 12, 17, 257, ..., etc. Generally, let A be (0, 0) and let B be (, 0), then one can draw all the points (x, y) where x and y are any elements in some regular 2
m
-extension of the rational field, for m=1, 2, 3, ... 相似文献
85.
Background Pillar[n]arene(PA[n])contains a symmetrical structures,where para-bridge connection between the units looks like a column-like or pillar shape and polygonal structure from side and top views,respectively.The attached groups to the PA[n]are pointing towards the opposite directions along the columnar axis. 相似文献
86.
Mao Jia-Jun Wang Li-Juan Chen Yu-De 《Journal of Radioanalytical and Nuclear Chemistry》1988,120(2):393-400
A study of the synergistic extraction of uranium(VI) from sulphuric acid solution with 1-phenyl-3-methyl-4-(2-chlorobenzoyl)-pyrazolone-5 (PMCBP) together with di-(2-ethylhexyl)-phosphoric acid (HDEHP) and also mono-(2-ethylhexyl)-2-ethylhexyl-phosphate (HEHEHP) is described. The results suggest that the compositions of the extracted species is UO2XHA2 and UO2X2H2A2 respectively. Models for the extraction mechanism is also discussed. 相似文献
87.
Xiaolin Hou K. G. Andersson J. Roed A. Byskov T. Roed 《Journal of Radioanalytical and Nuclear Chemistry》2007,271(1):133-143
Hairless rats, clothes, human hair, filter paper and water were exposed to gaseous elemental iodine in a glass chamber for
60–120 minutes. The deposition of gaseous elemental iodine on skin and lung of rats, human hair, water, clothes and paper
were investigated by measuring iodine content in the exposed material by epithermal neutron activation analysis (ENAA). For
measurement of the iodine concentration in the chamber air, elemental iodine in the air was collected by continuously sucking
air through an active charcoal column. The trapped iodine in the active charcoal was then determined by ENAA. The measured
deposition velocity in the test chamber of gaseous elemental iodine on skin, clothing, hair and water ranges from 0.006 on
filter paper and water to about 0.05 cm/s on skin and clothes. The variation of elemental iodine concentration in air of the
glass chamber was investigated by collecting and analyzing air samples at various time intervals. The results show that the
variation with time in the concentration of the iodine can be described by an exponential function. 相似文献
88.
Zhijia Wang Antonio Toffoletti Yuqi Hou Jianzhang Zhao Antonio Barbon Bernhard Dick 《Chemical science》2021,12(8):2829
The triplet state lifetimes of organic chromophores are crucial for fundamental photochemistry studies as well as applications as photosensitizers in photocatalysis, photovoltaics, photodynamic therapy and photon upconversion. It is noteworthy that the triplet state lifetime of a chromophore can vary significantly for its analogues, while the exact reason was rarely studied. Herein with a few exemplars of typical BODIPY derivatives, which show triplet lifetimes varying up to 110-fold (1.4–160 μs), we found that for these derivatives with short triplet state lifetimes (ca. 1–3 μs), the electron spin polarization (ESP) pattern of the time-resolved electron paramagnetic resonance (TREPR) spectra of the triplet state is inverted at a longer delay time after laser pulse excitation, as a consequence of a strong anisotropy in the decay rates of the zero-field state sublevel of the triplet state. For the derivatives showing longer triplet state lifetimes (>50 μs), no such ESP inversion was observed. The observed fast decay of one sublevel is responsible for the short triplet state lifetime; theoretical computations indicate that it is due to a strong coupling between the Tz sublevel and the ground state mediated by the spin–orbit interaction. Another finding is that the heavy atom effect on the shortening of the triplet state lifetime is more significant for the T1 states with lower energy. To the best of our knowledge, this is the first systematic study to rationalize the short triplet state lifetime of visible-light-harvesting organic chromophores. Our results are useful for fundamental photochemistry and the design of photosensitizers showing long-lived triplet states.The electron spin polarization inversion and anisotropic decay of triplet substates explain the short triplet state lifetime of BODIPY derivatives. 相似文献
89.
In the current work, three-dimensional QSAR studies for one large set of quinazoline type epidermal growth factor receptor (EGF-R) inhibitors were conducted using two types of molecular field analysis techniques: comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). These compounds belonging to six different structural classes were randomly divided into a training set of 122 compounds and a test set of 13 compounds. The statistical results showed that the 3D-QSAR models derived from CoMFA were superior to those generated from CoMSIA. The most optimal CoMFA model after region focusing bears significant cross-validated r(2)(cv) of 0.60 and conventional r(2) of 0.92. The predictive power of the best CoMFA model was further validated by the accurate estimation to these compounds in the external test set, and the mean agreement of experimental and predicted log(IC(50)) values of the inhibitors is 0.6 log unit. Separate CoMFA models were conducted to evaluate the influence of different partial charges (Gasteiger-Marsili, Gasteiger-Hückel, MMFF94, ESP-AM1, and MPA-AM1) on the statistical quality of the models. The resulting CoMFA field map provides information on the geometry of the binding site cavity and the relative weights of various properties in different site pockets for each of the substrates considered. Moreover, in the current work, we applied MD simulations combined with MM/PBSA (Molecular mechanics/Possion-Boltzmann Surface Area) to determine the correct binding mode of the best inhibitor for which no ligand-protein crystal structure was present. To proceed, we define the following procedure: three hundred picosecond molecular dynamics simulations were first performed for the four binding modes suggested by DOCK 4.0 and manual docking, and then MM/PBSA was carried out for the collected snapshots. The most favorable binding mode identified by MM/PBSA has a binding free energy about 10 kcal/mol more favorable than the second best one. The most favorable binding mode identified by MM/PBSA can give satisfactory explanation of the SAR data of the studied molecules and is in good agreement with the contour maps of CoMFA. The most favorable binding mode suggests that with the quinazoline-based inhibitor, the N3 atom is hydrogen-bonded to a water molecule which, in turn, interacts with Thr 766, not Thr 830 as proposed by Wissner et al. (J. Med. Chem. 2000, 43, 3244). The predicted complex structure of quinazoline type inhibitor with EGF-R as well as the pharmacophore mapping from CoMFA can interpret the structure activities of the inhibitors well and afford us important information for structure-based drug design. 相似文献
90.
An electrochemical synthesis of oxazol‐2‐ones and imidazol‐2‐ones has been developed via 5‐exo‐dig cyclization of propargylic carbamates‐ and ureas‐derived amidyl radicals. The electrosynthesis relies on the dual function of 2,2,6,6‐tetramethylpiperidin‐ 1‐yl)oxyl (TEMPO) as a redox mediator for amidyl radical formation and an oxygen atom donor. The reactions are conducted under mild conditions using a simple setup and provide convenient access to functionalized oxazol‐2‐ones and imidazol‐2‐ones from readily available materials. 相似文献