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711.
In this paper, the effect of finite width on ground‐state properties of a spin‐polarized symmetric electron‐hole quantum bilayers (EHBL) system is investigated at zero temperature. The quantum self‐consistent mean‐field approximation of Singwi, Tosi, Land and Sjölander (qSTLS) is adopted to explore intra‐ and interlayer properties such as the pair‐correlation function, the static density susceptibility, the local‐field corrections and the ground‐state energy. Interestingly, we noticed that due to the inclusion of finite width, the critical density for the onset of Wigner crystal (WC) phase is now lowered as compared to the recent spin‐polarized EHBL system without finite width and unpolarized EHBL system with finite width. Further, spin‐polarization effect is seem to introduce a marked change in the ground‐state energy of EHBL system as compared to that of unpolarized system. Results of ground‐state energy are also compared with the recent EHBL system without finite width (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   
712.
The Q 2 evolution of fragmentation function in non-equilibrium QCD by using DGLAP evolution equation may be necessary to study hadron formation from quark-gluon plasma at RHIC and LHC. In this paper we study splitting functions in non-equilibrium QCD by using Schwinger-Keldysh closed-time path integral formalism. For quarks and gluons with arbitrary non-equilibrium distribution functions f q ( $\vec p$ ) and f g ( $\vec p$ ), we derive expressions for quark and gluon splitting functions in non-equilibrium QCD at leading order in ?? s . We make a comparison of these splitting functions with that obtained by Altarelli and Parisi in vacuum.  相似文献   
713.
714.
Andrographolide, the principal secondary metabolite of Andrographis paniculata, displays a wide spectrum of medicinal activities. The content of andrographolide varies significantly in the species collected from different geographical regions. Therefore, this study aims at investigating the role of different abiotic factors and selecting suitable sites for the cultivation of A. paniculata with high andrographolide content using a multilayer perceptron artificial neural network (MLP-ANN) approach. A total of 150 accessions of A. paniculata collected from different regions of Odisha and West Bengal in eastern India showed a variation in andrographolide content in the range of 0.28–5.45% on a dry weight basis. The MLP-ANN was trained using climatic factors and soil nutrients as the input layer and the andrographolide content as the output layer. The best topological ANN architecture, consisting of 14 input neurons, 12 hidden neurons, and 1 output neuron, could predict the andrographolide content with 90% accuracy. The developed ANN model showed good predictive performance with a correlation coefficient (R2) of 0.9716 and a root-mean-square error (RMSE) of 0.18. The global sensitivity analysis revealed nitrogen followed by phosphorus and potassium as the predominant input variables influencing the andrographolide content. The andrographolide content could be increased from 3.38% to 4.90% by optimizing these sensitive factors. The result showed that the ANN approach is reliable for the prediction of suitable sites for the optimum andrographolide yield in A. paniculata.  相似文献   
715.
Plants and their derived molecules have been traditionally used to manage numerous pathological complications, including male erectile dysfunction (ED). Mimosa pudica Linn. commonly referred to as the touch-me-not plant, and its extract are important sources of new lead molecules in drug discovery research. The main goal of this study was to predict highly effective molecules from M. pudica Linn. for reaching and maintaining penile erection before and during sexual intercourse through in silico molecular docking and dynamics simulation tools. A total of 28 bioactive molecules were identified from this target plant through public repositories, and their chemical structures were drawn using Chemsketch software. Graph theoretical network principles were applied to identify the ideal target (phosphodiesterase type 5) and rebuild the network to visualize the responsible signaling genes, proteins, and enzymes. The 28 identified bioactive molecules were docked against the phosphodiesterase type 5 (PDE5) enzyme and compared with the standard PDE5 inhibitor (sildenafil). Pharmacokinetics (ADME), toxicity, and several physicochemical properties of bioactive molecules were assessed to confirm their drug-likeness property. Molecular dynamics (MD) simulation modeling was performed to investigate the stability of PDE5–ligand complexes. Four bioactive molecules (Bufadienolide (−12.30 kcal mol−1), Stigmasterol (−11.40 kcal mol−1), Isovitexin (−11.20 kcal mol−1), and Apigetrin (−11.20 kcal mol−1)) showed the top binding affinities with the PDE5 enzyme, much more powerful than the standard PDE5 inhibitor (−9.80 kcal mol−1). The four top binding bioactive molecules were further validated for a stable binding affinity with the PDE5 enzyme and conformation during the MD simulation period as compared to the apoprotein and standard PDE5 inhibitor complexes. Further, the four top binding bioactive molecules demonstrated significant drug-likeness characteristics with lower toxicity profiles. According to the findings, the four top binding molecules may be used as potent and safe PDE5 inhibitors and could potentially be used in the treatment of ED.  相似文献   
716.
Magnolia champaca (L.) Baill. ex Pierre of family Magnoliaceae, is a perennial tree with aromatic, ethnobotanical, and medicinal uses. The M. champaca leaf is reported to have a myriad of therapeutic activities, however, there are limited reports available on the chemical composition of the leaf essential oil of M. champaca. The present study explored the variation in the yield and chemical composition of leaf essential oil isolated from 52 accessions of M. champaca. Through hydrodistillation, essential oil yield was obtained, varied in the range of 0.06 ± 0.003% and 0.31 ± 0.015% (v/w) on a fresh weight basis. GC-MS analysis identified a total of 65 phytoconstituents accounting for 90.23 to 98.90% of the total oil. Sesquiterpene hydrocarbons (52.83 to 65.63%) constituted the major fraction followed by sesquiterpene alcohols (14.71 to 22.45%). The essential oils were found to be rich in β-elemene (6.64 to 38.80%), γ-muurolene (4.63 to 22.50%), and β-caryophyllene (1.10 to 20.74%). Chemometrics analyses such as PCA, PLS-DA, sPLS-DA, and cluster analyses such as hierarchical clustering, i.e., dendrogram and partitional clustering, i.e., K-means classified the essential oils of M. champaca populations into three different chemotypes: chemotype I (β-elemene), chemotype II (γ-muurolene) and chemotype III (β-caryophyllene). The chemical polymorphism analyzed in the studied populations would facilitate the selection of chemotypes with specific compounds. The chemotypes identified in the M. champaca populations could be developed as promising bio-resources for conservation and pharmaceutical application and further improvement of the taxa.  相似文献   
717.
A practical and efficient protocol for oxidative cleavage of olefinic bonds especially in arylated olefins has been demonstrated. Herein, an oxo[5,10,15-tris(4-nitrophenyl)corrolato]vanadium (IV) complex (cat.), has been successfully synthesized and the existence of two tautomeric forms of this complex in solution has been established. Oxo[5,10,15-tris(4-nitrophenyl)corrolato]vanadium (IV) (cat.) in the presence of H2O2 cleaves olefinic bonds to yield the corresponding aldehyde compounds. In general, a high valent, oxo-(porphyrinoid)-metal complex catalyzes the epoxide formation reactions, however, in the present case, we have observed the exclusive formation of aldehydes. The reaction offered aryl aldehydes with good yields and excellent selectivity. A mechanism was also proposed for these catalysis reactions.  相似文献   
718.
Industrial waste locks are used as raw materials to reduce harmful effects on the environment and improve environmental performance. Marble clay powder can be used as a filling aid and can fill voids in concrete structures. This article will show you how to use a maximum natural sand alternative in concrete with marble powder and quarry dust. The challenge of the 21st century is to change to a new form that can support the natural system. This necessitates a radical rethinking of how to give the community infrastructure and housing. Making a concerted effort to develop novel, innovative, and alternative construction materials may be necessary. Jungles of concrete around cause's impact on the Environment and it would result in climate change. Mankind must avoid the use of things that are detrimental to the environment. So in this paper, it is decided to address the issue by adopting the use of the green concrete concept which is environmentally friendly. Green concrete is concrete made up using industrial wastes such as marble powder, quarry dust, wood ash, paper pulp, etc. Green concrete, which is capable of sustainable development, helps to reduce the consumption of natural resources, energy use, and environmental pollution. Green concrete is more cost-effective than ordinary concrete and reduces the cost of resultant concrete by 14%–20%. It is also observed that the alkali-aggregate reaction and sulfate attack resistance of concrete are both significantly improved. Green concrete is a useful tool for lowering environmental pollution and enhancing concrete's resistance to harsh conditions. All stages of infrastructure construction and rehabilitation will follow this trend of using new cement and techniques. Green concrete's adaptability and its performance derivatives will meet a variety of future needs.  相似文献   
719.
Corrosion is the irreversible, interfacial reaction of metals in the presence of an electrochemical environment which ultimately results in the deterioration of metals. Corrosion of reinforcement is the major problem in the reinforced concrete (RC) structure. Corrosion of reinforcement is a slow process because of the protective layer of concrete. Even in a severely corrosive environment corrosion process takes time to be initiated and propagated. Since to carry out research work, some techniques are required to accelerate the corrosion process in the shortest period. To overcome this problem, in the past, many researchers use a different method to accelerate the corrosion of steel in concrete. In this paper, a review is presented of various techniques used for accelerated corrosion testing. The suitability of reviewed methods on corrosion acceleration for several research works is presented. After that few case studies review to make use of various predicted empirical models and an experimental technique for predicting corrosion rate and the assessment of the remaining life of the structure. And finally, the paper is concluded by comparing the natural method of corrosion and the accelerated method of corrosion and the future scope of accelerated corrosion.  相似文献   
720.
S. K. Nayak  P. Jena 《ChemInform》1999,30(16):no-no
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.  相似文献   
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