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171.
Multielements in a typical Japanese diet certified reference material prepared at the National Institute for Environmental Studies (NIES) of Japan, in collaboration with the National Institute of Radiological Sciences (NIRS) of Japan were determined by instrumental neutron activation analysis (INAA). Five samples (ca. 510-1000 mg) and comparative standards were irradiated for a short time (10 s) at a thermal neutron flux of 1.5 x 10(12) n cm(-2) s(-1) (pneumatic transfer) and for a long time (6 h) at a thermal neutron flux of 3.7 x 10(12) n cm(-2) s(-1) (central thimble) in the Rikkyo University Research Reactor (TRIGA Mark-II, 100 kW). The irradiated samples were measured by conventional gama-ray spectrometry using a coaxial Ge detector, and by anti-coincidence and coincidence gamma-ray spectrometry with a coaxial Ge detector and a well-type NaI(Tl) detector. The concentrations of 38 elements were determined by these methods. 相似文献
172.
173.
Chiral 1,2,3-triazoliums have been designed, and the rational structural modification based on their unique anion-binding abilities has led to the establishment of the highly enantioselective alkylation of 3-substituted oxindoles. 相似文献
174.
Ogino M Fukui S Nakada Y Tokunoh R Itokawa S Kakoi Y Nishimura S Sanada T Fuse H Kubo K Wada T Marui S 《Chemical & pharmaceutical bulletin》2011,59(10):1268-1273
Acyl-CoA: cholesterol acyltransferase (ACAT) is an intracellular enzyme that catalyzes cholesterol esterification. ACAT inhibitors are expected to be potent therapeutic agents for the treatment of atherosclerosis. A series of potent ACAT inhibitors based on an (4-phenylcoumarin)acetanilide scaffold was identified. Evaluation of the structure-activity relationships of a substituent on this scaffold, with an emphasis on improving the pharmacokinetic profile led to the discovery of 2-[7-chloro-4-(3-chlorophenyl)-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (23), which exhibited potent ACAT inhibitory activity (IC50=12 nM) and good pharmacokinetic profile in mice. Compound 23 also showed regressive effects on atherosclerotic plaques in apolipoprotein (apo)E knock out (KO) mice at a dose of 0.3 mg/kg per os (p.o.). 相似文献
175.
To analyze large-scale cluster systems theoretically, we recently developed an "integrated multicenter molecular-orbital" (IMiC-MO) method. This method calculates the force of an entire system by dividing the system into small regions. We used the method to analyze the effect of cluster size and the process of hydrogen bond network (HBN) growth to form H(+)(H(2)O)(n) (n = 9, 17, and 33) clusters. Our simulations reveal that H(3)O(+) and water molecules in the first solvation shell function take an important role to grow the HBN. In addition, the number of hydrogen donors in each water molecule is strongly related to the shape of the HBN. 相似文献
176.
Shogo Sakai Taro Udagawa Shohei Kato Keita Nakada 《Journal of Physical Organic Chemistry》2013,26(6):517-522
The mechanisms of the [2 + 2 + 2] cycloaddition reaction of three ethyne molecules were studied by ab initio molecular orbital and density functional methods. The transition states range from that of the concerted mechanism with D3h symmetry to that of the stepwise mechanism with C2 symmetry. The transition state structure and the activation energy depend on the basis set and computational method employed in the analysis. The activation energy barrier was determined to be in the range of 36–44 kcal/mol. The activation energy determined by various methods corresponds to the interaction energy, which is related to the electron correlation energy. The best estimation of the activation energy barrier is 41.6 kcal/mol, achieved from the relation between the interaction energy and the activation energy. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
177.
Dr. Shiyao Liu Dr. Yoshiaki Tanabe Dr. Shogo Kuriyama Prof. Ken Sakata Prof. Yoshiaki Nishibayashi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(63):15650-15659
Ruthenium- and copper-catalyzed propargylic substitution reactions of propargylic alcohol derivatives with N-monosubstituted hydrazones as ambident nucleophiles are achieved in which N-monosubstituted hydrazones exhibit impressive different reactivities depending on different catalytic systems, behaving as carbon-centered nucleophiles to give the corresponding propargylic alkylated products in ruthenium catalysis, or as nitrogen-centered nucleophiles to afford the corresponding propargylic aminated products in copper catalysis. DFT calculations were carried out to investigate the detailed reaction pathways of these two systems. Further transformation of propargylic substituted products affords the corresponding multisubstituted pyrazoles as cyclization products in good to high yields. 相似文献
178.
Hiroki Fukunaga Dr. Wataru Kosaka Honoka Nemoto Dr. Kouji Taniguchi Dr. Shogo Kawaguchi Dr. Kunihisa Sugimoto Prof. Dr. Hitoshi Miyasaka 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(70):16755-16766
The insertion of “sandwiched spins” between magnetic layers could efficiently affect the interlayer magnetic correlations, but doing so increases the complexity in the interlayer spin alignment because of competition between the inserted spin-layer interaction JNNI and the interlayer through-space interaction JNNNI if the magnitude of JNNI is of the same order as JNNNI with reciprocal signs of the respective interactions. Herein, systematic tuning of the magnetic phase variations by JNNI and JNNNI in two kinds of metal-variable isostructural series of supramolecular pillared layer magnets [MCp*2][{Ru2II,II(2,3,5,6-F4CO2)4}2(TCNQ)] ⋅ 2 DCE (M=Co, Fe, Cr; 2,3,5,6-F4PhCO2−=2,3,5,6-tetrafluorobenzoate; TCNQ=7,7,8,8-tetracyano-p-quinodimethane; DCE=1,2-dichloroethane) and their DCE-free series, in which [MCp*2]+ (Cp*=η5-C5Me5) species with S=0, 1/2, and 3/2 for M=Co, Fe, Cr, respectively, are sandwiched between ferrimagnetic layers of [{Ru2}2(TCNQ)]−, is demonstrated. The results showed that the flexible magnetic natures of these magnets are changeable in dependence on JNNI and JNNNI, as well as on interlayer inserted spins M. 相似文献
179.
Bo Huang Hirokazu Kobayashi Tomokazu Yamamoto Takaaki Toriyama Syo Matsumura Yoshihide Nishida Katsutoshi Sato Katsutoshi Nagaoka Masaaki Haneda Wei Xie Yusuke Nanba Michihisa Koyama Fenglong Wang Shogo Kawaguchi Yoshiki Kubota Hiroshi Kitagawa 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(8)
180.
Shogo Kamo Kai Yoshioka Kouji Kuramochi Kazunori Tsubaki 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2016,128(35):10473-10476
Total syntheses of juglorescein and juglocombins A and B are reported. The highly oxygenated 6/6/5/6/6‐fused pentacyclic ring system of these natural products was constructed through a bioinspired dimerization of 1,4‐naphthoquinone. Notably, five new stereogenic centers were constructed in a single step by the dimerization reaction. The epoxide intermediate obtained from the dimerization was successfully converted into juglocombins A and B through photoinduced reduction of the epoxide, dehydration, and conversion of the resultant quinone into a hydroquinone derivative. The same epoxide intermediate was also converted into a dicarboxylic acid, which was transformed into juglorescein through intramolecular lactonization, hydrolysis of the resulting lactone, and removal of the protecting groups. Furthermore, the relative and absolute configurations of juglorescein and juglocombins A and B were determined. 相似文献