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21.
Gu P Haas P Hogan WP Kim SK Matthews JN Myung SS Schnetzer S Thomson GB Zou Y Arisaka K Roberts D Slater W Spencer MB Weaver M Briere RA Cheu E Harris DA Krolak P McFarland KS Roodman A Schwingenheuer B Somalwar SV Wah YW Winstein B Winston R Barker AR Swallow EC Bock GJ Coleman R Crisler M Enagonio J Ford R Hsiung YB Jensen DA O'Dell VR Ramberg E Tschirhart R Collins EM Gollin GD Nakaya T Yamanaka T 《Physical review letters》1996,76(23):4312-4315
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Zou Q Bennion BJ Daggett V Murphy KP 《Journal of the American Chemical Society》2002,124(7):1192-1202
Trimethylamine n-oxide (TMAO) is a naturally occurring osmolyte that stabilizes proteins and offsets the destabilizing effects of urea. To investigate the molecular mechanism of these effects, we have studied the thermodynamics of interaction between TMAO and protein functional groups. The solubilities of a homologous series of cyclic dipeptides were measured by differential refractive index and the dissolution heats were determined calorimetrically as a function of TMAO concentration at 25 degrees C. The transfer free energy of the amide unit (-CONH-) from water to 1 M TMAO is large and positive, indicating an unfavorable interaction between the TMAO solution and the amide unit. This unfavorable interaction is enthalpic in origin. The interaction between TMAO and apolar groups is slightly favorable. The transfer free energy of apolar groups from water to TMAO consists of favorable enthalpic and unfavorable entropic contributions. This is in contrast to the contributions for the interaction between urea and apolar groups. Molecular dynamics simulations were performed to provide a structural framework for the interpretation of these results. The simulations show enhancement of water structure by TMAO in the form of a slight increase in the number of hydrogen bonds per water molecule, stronger water hydrogen bonds, and long-range spatial ordering of the solvent. These findings suggest that TMAO stabilizes proteins via enhancement of water structure, such that interactions with the amide unit are discouraged. 相似文献
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Yaping Zou 《Tetrahedron letters》2007,48(27):4781-4784
A series of new diphosphite ligands have been easily prepared from BINOL derivatives; moderate enantioselectivities (up to 80% ee) and excellent regioselectivities (b/l up to 98/2) have been achieved in the Rh-catalyzed asymmetric hydroformylation of vinyl acetate. 相似文献
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Shao-Chen Yang Qihuang Gong Zongju Xia Y. H. Zou Y. Q. Wu D. Qiang Y. L. Sun Z. N. Gu 《Applied physics. B, Lasers and optics》1992,55(1):51-53
The nonlinear third-order optical susceptibility of C70 in a toluene solution is measured for the first time by the method of degenerate four-wave mixing using 10 ns laser pulses at 1.06 m. The third-order susceptibility X
in
(3)
is 5.6×10–12 esu for a C70 toluene solution at a concentration of 0.476 g/l. The correspondent magnitude of the hyperpolarizability 1111 of the C70 molecule is 1.2×10–30 esu which is in a good agreement with the prediction given by the model of a free electron in a spherical box. 相似文献
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Ying Lv Bofeng Zhang Guobing Zou Xiaodong Yue Zhikang Xu Haiyan Li 《Entropy (Basel, Switzerland)》2022,24(7)
Domain adaptation aims to learn a classifier for a target domain task by using related labeled data from the source domain. Because source domain data and target domain task may be mismatched, there is an uncertainty of source domain data with respect to the target domain task. Ignoring the uncertainty may lead to models with unreliable and suboptimal classification results for the target domain task. However, most previous works focus on reducing the gap in data distribution between the source and target domains. They do not consider the uncertainty of source domain data about the target domain task and cannot apply the uncertainty to learn an adaptive classifier. Aimed at this problem, we revisit the domain adaptation from source domain data uncertainty based on evidence theory and thereby devise an adaptive classifier with the uncertainty measure. Based on evidence theory, we first design an evidence net to estimate the uncertainty of source domain data about the target domain task. Second, we design a general loss function with the uncertainty measure for the adaptive classifier and extend the loss function to support vector machine. Finally, numerical experiments on simulation datasets and real-world applications are given to comprehensively demonstrate the effectiveness of the adaptive classifier with the uncertainty measure. 相似文献
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Yang Ye Xiang Qi Bing Xu Ying Lin Huan Xiang Liang Zou Xiang-Yang Ye Tian Xie 《Chemical science》2022,13(23):6959
Herein, we present a facile and efficient allylation method via Ni-catalyzed cross-electrophile coupling of readily available allylic acetates with a variety of substituted alkenyl bromides using zinc as the terminal reductant. This Ni-catalyzed modular approach displays excellent functional group tolerance and a broad substrate scope, which the creation of a series of 1,4-dienes including several structurally complex natural products and pharmaceutical motifs. Moreover, the coupling strategy has the potential to realize enantiomeric control. The practicality of this transformation is demonstrated through the potent modification of the naturally antitumor active molecule β-elemene.Herein, we present a facile and efficient allylation method via Ni-catalyzed cross-electrophile coupling of readily available allylic acetates with a variety of substituted alkenyl bromides using zinc as the terminal reductant. 相似文献