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991.
A computer simulation by a molecular dynamics method at constant volume has been performed on a model material that is composed
of accumulating two different fluoride conductors: ⋯BaF2–CaF2–BaF2–CaF2⋯. The average value of CaF2 and BaF2 for the lattice constant of the new layered material is prepared to hold its mechanical strength. The CaF2 region is compressed and the BaF2 region is stretched along the c axis (z axis) in the thermal equilibrium state. It is obtained that the diffusion coefficient and ionic conductivity of F − ions in the layered fluoride conductors increases with decreasing periods, more specifically with the number of interfaces.
The layer depth dependence on transport coefficients approximately coincides with the experiment. 相似文献
992.
Nobumoto?NagasawaEmail author Shugo?Ikeda Aiko?Shimoda Takeshi?Waki Yoshikazu?Tabata Hiroyuki?Nakamura Hisao?Kobayashi 《Hyperfine Interactions》2016,237(1):39
The 57Fe Mössbauer spectra of the single crystalline and the finely ground Sr1?x La x Fe12?y Co y O19 (x = 0 : y = 0, x = 0.192 : y = 0.152 and x = 0.456 : y = 0.225) samples have been measured to investigate the La-Co substitution effects. All observed spectra at 150 K were well fitted using the five subspectra which correspond to the five crystallographical nonequivalent Fe sites in the M-type hexaferrite, indicating that the valence changes to Fe2+ ions in the Fe3+ ions were not observed in our Sr1?x La x Fe12?y Co y O19 samples. In SrFe12O19, the relative absorption intensities in the five subspectra show the large anisotropies in the recoilless fractions at the five Fe sites whereas these anisotropies were not observed in Sr0.544La0.456Fe11.775Co0.225O19. These results indicate the chemical compositional dependence on the anisotropies of the recoilless fractions at the five Fe sites. The substitution of a Co2+ ion for the Fe3+ ion changes the center shifts of the Fe3+ ions near the Co2+ ion by the perturbation of the Fe-O-Co hybridizations. Therefore, the Co2+ ions occupy the 4f 1 and the 4f 2 sites due to the chemical compositional dependences of the refined magnetic hyperfine field and center shifts of the Fe3+ ions. 相似文献
993.
994.
Tachibana Y Kurisawa M Uyama H Kakuchi T Kobayashi S 《Chemical communications (Cambridge, England)》2003,(1):106-107
Reaction of poly(succinimide) with a mixture of 5-aminopentanol and 6-aminohexanol produced new thermoresponsive polymers based on biodegradable poly(amino acids)s, poly(N-substituted alpha/beta-asparagine)s, showing a clear LCST in water. 相似文献
995.
Dr. Hai‐Jun Xu Dr. John Mack Dr. Di Wu Dr. Zhao‐Li Xue Dr. Ana B. Descalzo Dr. Knut Rurack Prof. Nagao Kobayashi Prof. Zhen Shen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(52):16844-16867
The synthesis of a series of novel core‐modified and fused‐ring‐expanded tetraphenylporphyrins is reported. Theoretical calculations and magnetic circular dichroism (MCD) and fluorescence spectroscopic measurements were used to analyze the effect of core modification with Group 16 oxygen, sulfur, selenium, and tellurium atoms on the optical properties and electronic structures of the porphyrins. Marked redshifts of the Q and B bands and accelerated intersystem‐crossing rates were observed, thus making these compounds potentially suitable for use in a variety of applications. The scope for further fine‐tuning of these optical properties based on additional structural modifications, such as the incorporation of fused benzene rings to form ABAB structures by using a thiophene precursor with a fused bicyclo[2.2.2]octadiene ring and the introduction of various substituents onto the meso‐phenyl rings, is also examined. 相似文献
996.
Moeko Itoga Masako Yamanishi Taro Udagawa Ayane Kobayashi Keiko Maekawa Yoshiji Takemoto Hiroshi Naka 《Chemical science》2022,13(30):8744
The development of chemoselective C(sp3)-H deuteration is of particular interest in synthetic chemistry. We herein report the α-selective, iridium(iii)-bipyridonate-catalyzed hydrogen(H)/deuterium(D) isotope exchange of alcohols using deuterium oxide (D2O) as the primary deuterium source. This method enables the direct, chemoselective deuteration of primary and secondary alcohols under basic or neutral conditions without being affected by coordinative functional groups such as imidazole and tetrazole. Successful substrates for deuterium labelling include the pharmaceuticals losartan potassium, rapidosept, guaifenesin, and diprophylline. The deuterated losartan potassium shows higher stability towards the metabolism by CYP2C9 than the protiated analogue. Kinetic and DFT studies indicate that the direct deuteration proceeds through dehydrogenation of alcohol to the carbonyl intermediate, conversion of [IrIII–H] to [IrIII−D] with D2O, and deuteration of the carbonyl intermediate to give the α-deuterated product.An α-selective, iridium(iii)-bipyridonate-catalyzed hydrogen isotope exchange of alcohols using D2O has been developed for the direct, chemoselective deuteration of primary and secondary alcohols, thereby providing deuterated bioactive molecules. 相似文献
997.
Yonezawa N Hino T Matsuda K Matsuki T Narushima D Kobayashi M Ikeda T 《The Journal of organic chemistry》2000,65(4):941-944
In P(2)O(5)-MsOH, or related acidic media, benzoylformic acid (1) undergoes three types of di- or mono-alpha-arylation reactions with or without decarbonylation ((1) decarbonylative alpha, alpha-diarylation, yielding triarylmethanols 6, (2) decarbonylative alpha-monoarylation, giving benzophenone derivatives 7, and (3) alpha,alpha-diarylation without decarbonylation, affording diarylated carboxylic acids 5) and one simple decarbonylation, without arylation, to form benzoic acid (8), instead of the conventional Friedel-Crafts acylation type reaction. The product ratios are governed by the capability of the acidic medium to form mixed anhydrides with carboxylic acids and the ability of the arenes to accept electrophiles. 相似文献
998.
The absolute configuration of phomopsidin, a marine-derived fungal metabolite from Phomopsis sp. isolated at Pohnpei, was determined by the exciton chirality method as 6S, 7S, 8S, 11S, 12R, and 15R. The biosynthetic study using 13C-labeled precursors revealed the origin of all carbon atoms in phomopsidin, which was built by nine acetates and three methyl groups from l-methionine. Inhibitory activities of phomopsidin and its Me ester derivative against microtubule assembly were examined together with the structurally related compounds MK8383, solanapyrones, and tanzawaic acids. Phomopsidin and its (16Z)-isomer (MK8383) showed anti-microtubule activity at IC50 of 5.7 and 8.0 μM, respectively, while the Me ester and other compounds were not active at 100 μM. 相似文献
999.
Yamaguchi S Muro S Kobayashi M Miyazawa M Hirai Y 《The Journal of organic chemistry》2003,68(16):6274-6278
The absolute structures of some naturally occurring chiral 2-isopropenyl-2,3-dihydrobenzofurans, (+)-remirol (1a), (+)-remiridiol (1b), (+)-angenomalin (2), and (+)-isoangenomalin (3), were studied by respective chiral synthesis. Kinetic resolutions of racemic 2-isopropenyl-2,3-dihydrobenzofurans, 2-isopropenyl-4,6-dimethoxy-2,3-dihydrobenzofuran (4), 4-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-carbaldehyde (8), and 2-isopropenyl-6-(MOM)oxy-2,3-dihydrobenzofuran-5-carbaldehyde (11c), by Sharpless dihydroxylation using (DHQ)(2)AQN or (DHQD)(2)AQN gave the corresponding chiral 2-isopropenyl-2,3-dihydrobenzofurans. Chiral (S)-(+)-4 (99% ee, using (DHQD)(2)AQN) was converted to natural remirol (S)-(+)-1a and then to natural remiridiol (S)-(+)-1b. (S)-(+)-8 (97% ee, using (DHQD)(2)AQN) was converted to natural angenomalin (S)-(+)-2. (R)-(-)-11c (>99% ee, using (DHQ)(2)AQN), was converted to natural isoangenomalin (R)-(+)-3. Thus, the absolute structures of natural remirol (+)-1a and remiridiol (+)-1b and angenomalin (+)-2 were determined to be S, and the structure of natural isoangenomalin (+)-3 was R. 相似文献
1000.