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251.
Hiyoshi N Sato O Yamaguchi A Shirai M 《Chemical communications (Cambridge, England)》2011,47(41):11546-11548
The addition of carbon dioxide and water enhances acetophenone hydrogenation activity over an activated carbon-supported palladium catalyst, and 1-phenylethanol can be easily recovered without distillation and neutralization. Two liquid phases (water and acetophenone) are indispensable for enhancement of the hydrogenation rate. 相似文献
252.
An in situ hybrid complex of Curdlan with water-soluble polythiophene functioned as a highly sensitive and selective saccharide chemosensor in aqueous media, enabling us to discriminate tetrasaccharide acarbose at 1 μM from 24 mono-, di-, tri-, tetra-, and pentasaccharides. 相似文献
253.
The effects of paramagnetic depairing on structural transitions between vortex lattices of a quasi-two-dimensional d-wave superconductor are examined. We find that, when the Maki parameter alphaM is of order unity, a square lattice induced by a d-wave pairing is destabilized with increasing fields, and that a reentrant rhombic lattice occurs in higher fields. Further, a weak Fermi surface anisotropy competitive with the pairing symmetry induces another structural transition near Hc2. These results are consistent with the structure changes of the vortex lattice in CeCoIn5 in H parallel c determined from recent neutron scattering data. 相似文献
254.
Daiki Fukuhara Masataka Yamauchi Satoru G. Itoh Hisashi Okumura 《Journal of computational chemistry》2023,44(4):534-545
In the replica-permutation method, an advanced version of the replica-exchange method, all combinations of replicas and parameters are considered for parameter permutation, and a list of all the combinations is prepared. Here, we report that the temperature transition probability depends on how the list is created, especially in replica permutation with solute tempering (RPST). We found that the transition probabilities decrease at large replica indices when the combinations are sequentially assigned to the state labels as in the originally proposed list. To solve this problem, we propose to modify the list by randomly assigning the combinations to the state labels. We performed molecular dynamics simulations of amyloid-β(16–22) peptides using RPST with the “randomly assigned” list (RPST-RA) and RPST with the “sequentially assigned” list (RPST-SA). The results show the decreases in the transition probabilities in RPST-SA are eliminated, and the sampling efficiency is improved in RPST-RA. 相似文献
255.
256.
Luca C. Greiner Dr. Norihito Arichi Prof. Dr. Shinsuke Inuki Prof. Dr. Hiroaki Ohno 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2023,135(3):e202213653
Phenyl azides substituted by an (alkylphenyl)ethynyl group facilitate benzylic sp3(C−H) functionalization in the presence of a JohnPhosAu catalyst, resulting in indole-fused tetra- and pentacycles via divergent N- or C-cyclization. The chemoselectivity is influenced depending on the counter-anion, the electron density of the α-imino gold(I) carbene, and the alkyl groups stabilizing the benzylic carbocation originating from a 1,5-hydride shift. An isotopic labeling experiment demonstrates the involvement of an indolylgold(I) species resulting from a tautomerization that is much faster than the deauration. The formation of a benzylic sp3(C−H) functionalization leading to an indole-fused seven-membered ring is also demonstrated. 相似文献
257.
258.
Takahiro Sakurai Yuya Hiraoka Dr. Hisaaki Tanaka Prof. Dr. Yoshihiro Miyake Prof. Dr. Norihito Fukui Prof. Dr. Hiroshi Shinokubo 《Angewandte Chemie (International ed. in English)》2023,62(12):e202300437
NiII 3,7,13,17-tetrapyridyl-5,15-diazaporphyrin serves as a double tridentate ligand to PdII ions to provide a pincer-type bispalladium complex. Electrochemical analysis revealed that the bispalladium complex shows excellent ability to accept electrons and reversible redox properties due to the coordination of the two cationic PdII centers to the meso-nitrogen atoms. We isolated and characterized one- and two-electron reduction species of the bispalladium complex. The 20π antiaromatic nature of the two-electron reduction species was confirmed by 1H NMR spectroscopy, UV/Vis-near-IR (NIR) absorption spectra, and density functional theory (DFT) calculations. X-ray diffraction revealed highly twisted structures for the bispalladium complexes regardless of the oxidation state. 相似文献