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91.
Ab initio analyses of A(2)IrO(4) (A=Sr,Ba) are presented. Effective Hubbard-type models for Ir 5d t(2g) manifolds downfolded from the global band structure are solved based on the dynamical mean-field theory. The results for A=Sr and Ba correctly reproduce paramagnetic metals undergoing continuous transitions to insulators below the Néel temperature T(N). These compounds are classified not into Mott insulators but into Slater insulators. However, the insulating gap opens by a synergy of the Néel order and significant band renormalization, which is also manifested by a 2D bad metallic behavior in the paramagnetic phase near the quantum criticality. 相似文献
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Shigeki Onoda Masatoshi Imada 《Journal of Physics and Chemistry of Solids》2002,63(12):2225-2231
Metals approaching the Mott insulator generate a new hierarchy in the electronic structure accompanied by an electron differentiation with emergence of strongly momentum dependent structure, beyond the Mott-Hubbard, Brinkman-Rice and Slater pictures of the Mott transition. To consider such nonlinear phenomenon, we develop an analytic nonperturbative theory based on operator projections combined with a self-consistent treatment of the low-energy excitations. This reproduces the Hubbard bands, Mott gap, spin fluctuations, mass divergence, diverging charge compressibility, and strongly renormalized flat and damped dispersion similar to angle-resolved photoemission data in high-Tc cuprates. Electronic spectra show a remarkable similarity to numerical results. 相似文献
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The discovery that lithium bis(trifluoromethane)sulfonamide (LiTFSI)/1‐nitropropane (PrNO2) solution functions as a less polar alternative to lithium perchlorate (LiClO4)/nitromethane (MeNO2) solution has led to the development of a novel thermomorphic system for electrocatalytic Diels‐Alder reactions. Methyl cyclohexane (Me‐c‐Hex) can form a monophasic condition with LiTFSI/PrNO2 solution at room temperature, enabling the use of hydrophobic dienophiles. After the electrochemical reaction, a biphasic condition can be formed at –50°C, where the cycloadducts are selectively recovered from the upper Me‐c‐Hex phase and the remaining lower LiTFSI/PrNO2 solution can be reused. 相似文献
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Naoya Kishikawa Kaname Ohyama Akane Saiki Aya Matsuo Marwa Fathy Bakr Ali Mitsuhiro Wada Kenichiro Nakashima Naotaka Kuroda 《Analytica chimica acta》2013
The binding of a lophine-based fluorescence probe, 4-[4-(4-dimethylaminophenyl)-5-phenyl-1H-imidazol-2-yl]benzoic acid methyl ester (DAPIM) with human serum albumin (HSA) was investigated by fluorescence spectroscopy under physiological conditions. While DAPIM shows extreme low fluorescence in aqueous solution, DAPIM binding with HSA emits strong fluorescence at 510 nm. The binding constant and binding number determined by Scatchard plot was 3.65 × 106 M−1 and 1.07, respectively. Competitive binding between DAPIM and other ligands such as warfarin, valproic acid, diazepam and oleic acid, were also studied fluorometrically. The results indicated that the primary binding site of DAPIM to HSA is site II at subdomain IIIA. DAPIM can be a useful fluorescence probe for the characterization of drug-binding sites. In addition to the interaction study, because the fluorescence intensity of DAPIM increased in proportion to HSA concentration, its potential in HSA assay for serum sample was also evaluated. 相似文献
100.
Metal‐ and Reagent‐Free Dehydrogenative Formal Benzyl–Aryl Cross‐Coupling by Anodic Activation in 1,1,1,3,3,3‐Hexafluoropropan‐2‐ol 下载免费PDF全文
Yasushi Imada Johannes L. Röckl Dr. Anton Wiebe Dr. Tile Gieshoff Dr. Dieter Schollmeyer Prof. Dr. Kazuhiro Chiba Prof. Dr. Robert Franke Prof. Dr. Siegfried R. Waldvogel 《Angewandte Chemie (International ed. in English)》2018,57(37):12136-12140
A selective dehydrogenative electrochemical functionalization of benzylic positions that employs 1,1,1,3,3,3‐hexafluoropropan‐2‐ol (HFIP) has been developed. The electrogenerated products are versatile intermediates for subsequent functionalizations as they act as masked benzylic cations that can be easily activated. Herein, we report a sustainable, scalable, and reagent‐ and metal‐free dehydrogenative formal benzyl–aryl cross‐coupling. Liberation of the benzylic cation was accomplished through the use of acid. Valuable diarylmethanes are accessible in the presence of aromatic nucleophiles. The direct application of electricity enables a safe and environmentally benign chemical transformation as oxidizers are replaced by electrons. A broad variety of different substrates and nucleophiles can be employed. 相似文献