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11.
I. L. Balikhin E. N. Kabachkov E. N. Kurkin V. M. Martynenko V. N. Troitskii I. A. Domashnev E. Yu. Upryamova E. M. Shifman A. M. Ovezov 《High Energy Chemistry》2018,52(4):360-363
The product composition of photocatalytic oxidation of vaporized sevoflurane, a next-generation fluorinated inhalation anesthetic, has been studied. It has been found that the final products of oxidation are carbon dioxide and hydrogen fluoride. The possibility of complete chemical absorption of the evolved hydrogen fluoride by a lime absorber during the course of the photocatalytic reaction has been shown. A safe scheme for using photocatalysis is recommended for purifying air to remove vapors of halogen-containing anesthetics under medical hospital conditions. 相似文献
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Multistate protein design is the task of predicting the amino acid sequence that is best suited to selectively and stably fold to one state out of a set of competing structures. Computationally, it entails solving a challenging optimization problem. Therefore, notwithstanding the increased interest in multistate design, the only implementations reported are based on either genetic algorithms or Monte Carlo methods. The dead-end elimination (DEE) theorem cannot be readily transfered to multistate design problems despite its successful application to single-state protein design. In this article we propose a variant of the standard DEE, called type-dependent DEE. Our method reduces the size of the conformational space of the multistate design problem, while provably preserving the minimal energy conformational assignment for any choice of amino acid sequence. Type-dependent DEE can therefore be used as a preprocessing step in any computational multistate design scheme. We demonstrate the applicability of type-dependent DEE on a set of multistate design problems and discuss its strength and limitations. 相似文献
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Yael Pascal‐Levy Evgeny Shifman Dr. Manish Pal‐Chowdhury Eitan M. Hajaj Oleg Shtempluck Alexey Razin Valeri Kochetkov Prof. Yuval E. Yaish 《Chemphyschem》2012,13(18):4202-4206
Humidity plays an important role in molecular electronics. It facilitates charge movement on top of dielectric layers and modifies the device transfer characteristics. Using two different methods to probe temporal charge redistribution on the surface of dielectrics, we were able to extract the surface humidity for the first time. The first method is based on the relaxation time constants of the current through carbon nanotube field‐effect transistors (CNTFETs), and the second is based on electric force microscopy (EFM) measurements. Moreover, we found that applying external gate biases modifies the surface humidity. A theoretical model based on dielectrophoretic attraction between the water molecules and the substrate is introduced to explain this observation, and the results support our hypothesis. Furthermore, it is found that upon the adsorption of two to three layers of water the surface conductivity saturates. 相似文献
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The title materials exist as stable phases in the MgO—MgCl2—H2O system at 120 °C. 相似文献
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Within the framework of some simple models we discuss the status of the operator product expansion (OPE) in the presence of nonperturbative effects. We consider, in particular, the 4d Higgs model, 2d sigma model and the Schwinger model. The general formulation of OPE is presented and it is demonstrated that there exists a consistent procedure allowing one to define unambiguously both coefficient functions and matrix elements of composite operators. One of the key elements of the procedure is the introduction of an auxiliary parameter, the normalization point μ. For the simplest T-products discussed in the literature earlier we construct the corresponding OPE explicitly. Then we check its validity by comparing the results for the two-point functions with independent direct calculations of the same correlators. Although the general procedure is standard and does not vary from one theory to another, numerically the relative role of perturbative and nonperturbative contributions in vacuum condensates is different in different theories. The two extremes considered are the λ?4 theory with no spontaneous breaking of the symmetry and the O(N) sigma model in the limit N → ∞. In the former case there is only perturbative contribution to (?2), while in the latter case the perturbative pieces are suppressed by 1/N factors. Numerically QCD is much closer to the O(N) sigma model in the large-N limit. Comments on specific features of QCD are presented. 相似文献
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