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1.
Stephen Fox 《Entropy (Basel, Switzerland)》2021,23(2)
Active inference is a physics of life process theory of perception, action and learning that is applicable to natural and artificial agents. In this paper, active inference theory is related to different types of practice in social organization. Here, the term social organization is used to clarify that this paper does not encompass organization in biological systems. Rather, the paper addresses active inference in social organization that utilizes industrial engineering, quality management, and artificial intelligence alongside human intelligence. Social organization referred to in this paper can be in private companies, public institutions, other for-profit or not-for-profit organizations, and any combination of them. The relevance of active inference theory is explained in terms of variational free energy, prediction errors, generative models, and Markov blankets. Active inference theory is most relevant to the social organization of work that is highly repetitive. By contrast, there are more challenges involved in applying active inference theory for social organization of less repetitive endeavors such as one-of-a-kind projects. These challenges need to be addressed in order for active inference to provide a unifying framework for different types of social organization employing human and artificial intelligence. 相似文献
2.
Yujie Tao Ahren W. Jasper Yuri Georgievskii Stephen J. Klippenstein Raghu Sivaramakrishnan 《Proceedings of the Combustion Institute》2021,38(1):515-522
Recent theoretical studies have shown that termolecular chemistry can be facilitated through reactions of flame radicals (H, O, and OH) or O2 with highly-energized collision complexes (either radical or stable species) formed in exothermic reactions. In this work, radical-radical recombination reaction induced termolecular chemistry and its impact on combustion modeling was studied. Two recombination reactions, H + CH3 + M → CH4 + M and H + OH + M → H2O + M, were analyzed using ab-initio master equation analyses guided by quasiclassical trajectory results. The dynamics results and the master equation calculations indicate that CH4? and H2O? (formed in the two radical-radical reactions outlined above) react rapidly with flame radicals and O2 at rates that are competitive with collisional cooling. The addition of these processes into conventional combustion modeling requires two modifications: the inclusion of the new nonthermal termolecular reaction rates and the simultaneous reduction of the competing recombination reaction rates. The former is described with newly derived Arrhenius expressions based on quasiclassical trajectories, and the latter is achieved by perturbing the recombination reaction rate during the simulation. Kinetic modeling was used to gauge the impact of including this nonthermal chemistry for H2/CH4-air laminar flames speeds. Inclusion of this nonthermal chemistry has a noticeable impact on simulated flame speeds. The procedure developed here can be utilized to properly quantify the effects of such nonthermal reactions in macroscopic kinetic models. 相似文献
3.
Mohanraj Krishnapriya Deshpande Krishna Pathak Pranav Joshi Vishvas Barton Stephen 《Journal of inclusion phenomena and macrocyclic chemistry》2022,102(3-4):279-293
Journal of Inclusion Phenomena and Macrocyclic Chemistry - A simple and cost-effective method for the synthesis of sulfated β-cyclodextrin, one of the most widely used chiral mobile phase... 相似文献
4.
Mingming Huang Dr. Jiefeng Hu Shasha Shi Dr. Alexandra Friedrich Johannes Krebs Prof. Dr. Stephen A. Westcott Prof. Dr. Udo Radius Prof. Dr. Todd B. Marder 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(24):e202200480
Defunctionalization of readily available feedstocks to provide alkenes for the synthesis of multifunctional molecules represents an extremely useful process in organic synthesis. Herein, we describe a transition metal-free, simple and efficient strategy to access alkyl 1,2-bis(boronate esters) via regio- and diastereoselective diboration of secondary and tertiary alkyl halides (Br, Cl, I), tosylates, and alcohols. Control experiments demonstrated that the key to this high reactivity and selectivity is the addition of a combination of potassium iodide and N,N-dimethylacetamide (DMA). The practicality and industrial potential of this transformation are demonstrated by its operational simplicity, wide functional group tolerance, and the late-stage modification of complex molecules. From a drug discovery perspective, this synthetic method offers control of the position of diversification and diastereoselectivity in complex ring scaffolds, which would be especially useful in a lead optimization program. 相似文献
5.
趋势分析和变化点检测是时间序列分析中常用的工具. 变化点检测是识别过程行为的自然或人为的突然的变化,而趋势可以定义为对逐渐偏离过去的规范的估计. 本文使用了Cox-Stuart方法和变化点算法分析时间序列数据趋势的存在,并以澳大利亚的近地表风速时间序列为例. 澳大利亚的近地表风速趋势是根据研究出的新开发的风速数据集,通过使用局部表面粗糙度信息,以及不同高度收集的混合观测数据构建. 10 m处的风的速度趋势通常会增加,而2 m处则趋于减小. 假设检验测试,变化点分析和人工检查记录表明有几个因素可能是导致差异的原因,例如伴随仪器变化的系统性偏差,随机数据错误(例如累积日错误)和数据采样问题. 均质化以及基于变化点检测的技术和多期趋势分析阐明了风速趋势不一致的根源. 相似文献
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9.
Dr. Sheng Guo Jiaqi Zhu Prof. Dr. Stephen L. Buchwald 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(47):21027-21031
A Cu-catalyzed enantioselective hydroamination of α,β-unsaturated carbonyl compounds for the synthesis of β-amino acid derivatives was achieved through ligand-controlled reversal of the hydrocupration regioselectivity. While the hydrocupration of α,β-unsaturated carbonyl compounds to form α-cuprated species has been extensively investigated, we report herein that, in the presence of an appropriate ancillary chiral ligand, the opposite regiochemistry can be observed for cinnamic acid derivatives, leading to the delivery of the copper to the β-position. This copper can react with an electrophilic aminating reagent, 1,2-benzisoxazole, to provide enantioenriched β-amino acid derivatives, which are important building blocks for the synthesis of natural products and bioactive small molecules. 相似文献
10.
Isabel V. L. Wilkinson Kelly J. Perkins Hannah Dugdale Lee Moir Aini Vuorinen Maria Chatzopoulou Sarah E. Squire Sebastian Monecke Alexander Lomow Marcus Geese Philip D. Charles Peter Burch Jonathan M. Tinsley Graham M. Wynne Stephen G. Davies Francis X. Wilson Fraydoon Rastinejad Shabaz Mohammed Kay E. Davies Angela J. Russell 《Angewandte Chemie (International ed. in English)》2020,59(6):2420-2428
Duchenne muscular dystrophy (DMD) is a fatal muscle‐wasting disease arising from mutations in the dystrophin gene. Upregulation of utrophin to compensate for the missing dystrophin offers a potential therapy independent of patient genotype. The first‐in‐class utrophin modulator ezutromid/SMT C1100 was developed from a phenotypic screen through to a Phase 2 clinical trial. Promising efficacy and evidence of target engagement was observed in DMD patients after 24 weeks of treatment, however trial endpoints were not met after 48 weeks. The objective of this study was to understand the mechanism of action of ezutromid which could explain the lack of sustained efficacy and help development of new generations of utrophin modulators. Using chemical proteomics and phenotypic profiling we show that the aryl hydrocarbon receptor (AhR) is a target of ezutromid. Several lines of evidence demonstrate that ezutromid binds AhR with an apparent KD of 50 nm and behaves as an AhR antagonist. Furthermore, other reported AhR antagonists also upregulate utrophin, showing that this pathway, which is currently being explored in other clinical applications including oncology and rheumatoid arthritis, could also be exploited in future DMD therapies. 相似文献