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31.
Xuan Zhao Jiqing Fang Yu Jia Zi Wu Meihui Zhang Mingyu Xia Jinhua Dong 《Molecules (Basel, Switzerland)》2022,27(11)
A series of 1,7-diphenyl-1,4-heptadien-3-ones with various substituents (HO-, CH3O-, CH3-, Cl-) on the phenyl rings were synthesized and evaluated for anti-neuroinflammatory effects in LPS-stimulated BV2 microglia. The pharmacological results showed that the target compounds bearing methoxy groups greatly inhibited LPS-induced NO release, and that the active compounds CU-19 and CU-21 reduced the level of NO, TNF-α, IL-6 and PGE-2, downregulated the expression of COX-2 and iNOS in LPS-stimulated BV2 cells. A study of the mechanism of action revealed that CU-19 and CU-21 inhibited the nuclear translocation of NF-κB and phosphorylation of MAPKs (ERK, JNK, and p38). A preliminary pharmacokinetic study in rats revealed that the pharmacokinetic properties of CU-19 and CU-21 were dramatically ameliorated in comparison with the pharmacokinetic properties of curcumin. 相似文献
32.
Influenza virus infections continue to be a significant and recurrent public health problem. Although vaccine efficacy varies, regular immunisation is the most effective method for suppressing the influenza virus. Antiviral drugs are available for influenza, although two of the four FDA-approved antiviral treatments have resulted in significant drug resistance. Therefore, new treatments are being sought to reduce the burden of flu-related illness. The time-consuming development of treatments for new and re-emerging diseases such as influenza and the high failure rate are increasing concerns. In this context, we used an in silico-based drug repurposing method to repurpose FDA-approved drugs as potential therapies against the H7N9 virus. To find potential inhibitors, a total of 2568 drugs were screened. Promacta, tucatinib, and lurasidone were identified as promising hits in the DrugBank database. According to the calculations of MM-GBSA, tucatinib (−54.11 kcal/mol) and Promacta (−56.20 kcal/mol) occupied the active site of neuraminidase with a higher binding affinity than the standard drug peramivir (−49.09 kcal/mol). Molecular dynamics (MD) simulation studies showed that the C-α atom backbones of the complexes of tucatinib and Promacta neuraminidase were stable throughout the simulation period. According to ADME analysis, the hit compounds have a high gastrointestinal absorption (GI) and do not exhibit properties that allow them to cross the blood–brain barrier (BBB). According to the in silico toxicity prediction, Promacta is not cardiotoxic, while lurasidone and tucatinib show only weak inhibition. Therefore, we propose to test these compounds experimentally against the influenza H7N9 virus. The investigation and validation of these potential H7N9 inhibitors would be beneficial in order to bring these compounds into clinical settings. 相似文献
33.
Zahra Ahmadi Ganjeh S. Farhad Masoudi 《中国物理C(英文版)》2014,(10):131-136
Neutron beam optimization for accelerator-based Boron Neutron Capture Therapy(BNCT) is investigated using a ^7Li(p,n)^7Be reaction. Design and optimization have been carried out for the target, cooling system,moderator, filter, reflector, and collimator to achieve a high flux of epithermal neutron and satisfy the IAEA criteria.Also, the performance of the designed beam in tissue is assessed by using a simulated Snyder head phantom. The results show that the optimization of the collimator and reflector is critical to finding the best neutron beam based on the ^7Li(p,n)^7Be reaction. Our designed beam has 2.49×109n/cm^2 s epithermal neutron flux and is suitable for BNCT of deep-seated brain tumors. 相似文献
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36.
David Applebaum 《Letters in Mathematical Physics》1993,28(3):231-237
The index of a Fredholm operator associated to a-summable Fredholm module is expressed in terms of the vacuum expectation value of a unitary operator-valued stochastic process which satisfies a stochastic differential equation with unbounded coefficients driven by fermion noise. 相似文献
37.
Previous results on quasi-classical limit of the KP hierarchy and itsW-infinity symmetries are extended to the Toda hierarchy. The Planck constant now emerges as the spacing unit of difference operators in the Lax formalism. Basic notions, such as dressing operators, Baker-Akhiezer functions, and tau function, are redefined.W
1 + symmetries of the Toda hierarchy are realized by suitable rescaling of the Date-Jimbo-Kashiara-Miwa vertex operators. These symmetries are contracted tow
1 + symmetries of the dispersionless hierarchy through their action on the tau function. 相似文献
38.
The adsorption of NH3 molecule on the Si(1 1 1)-7 × 7 surface modelled with a cluster has been studied using density functional theory (DFT). The results indicate the existence of a precursor state for the non-dissociative chemisorption. The active site for the molecular chemisorption is the adatom; while the NH3 molecule adsorbs on the Si restatom via this preadsorbed state, the adsorption on the Si adatom is produced practically without an energy barrier. The ammonia adsorption on the adatom induces an electron transfer from the dangling bond of this atom to the dangling bond of the adjacent Si restatom, hindering this site for the adsorption of a second NH3 incoming molecule. However, this second molecule links strongly by means of two H-bonds. The dissociative chemisorption process was studied considering one and two ammonia molecules. For the dissociation of a lonely NH3 molecule an energy barrier of ∼0.3 eV was calculated, yielding NH2 on the adatom and H on the restatom. When two molecules are adsorbed, the NH3-NH3 interaction yields the weakening of a N-H bond of the ammonia molecule adsorbed closer the Si surface. As a consequence, the dissociation barrier practically disappears. Thus, the presence of a second NH3 molecule at the adatom-restatom pair of the Si(1 1 1)-7 × 7 surface makes the dissociative reaction self-assisted, the total adsorption process elapsing with a negligible activation barrier (less than 0.01 eV). 相似文献
39.
Chemisorption of 1,1-dichloroethene (Cl2CCH2) to a Si(1 1 1)-7 × 7 surface was studied by means of X-ray photoelectron spectroscopy using synchrotron radiation, recording chlorine 2p and carbon 1s spectra. For carbon 1s, spectral assignment of the chemisorbed species is based on quantum chemical calculations of chemical shifts in model compounds.The results confirm the identity of covalently bonded 1-chlorovinyl (-CClCH2) and vinylidene (CCH2) adspecies. Upon chemisorption at room temperature it was found that about one-third of the molecules break one C-Cl bond while about two-thirds of the adsorbates break two C-Cl bonds. We do not, however, find evidence for isomerization of CCH2 to di-bonded vinylene (-CHCH-). 相似文献
40.
Y. Uzawa M. Takeda A. Kawakami Z. Wang T. Noguchi 《International Journal of Infrared and Millimeter Waves》2005,26(1):41-54
We describe a novel method of designing a tuning circuit with two half-wave distributed junctions separated by a half-wavelength microstripline, which analytically determines the circuit parameters such as the minimum current density of the junctions and the characteristic impedances of the distributed junctions and the microstripline. The tuning circuit was approximated by simple transmission theory and then simplified with ideal circuit components for analysis. We applied Chebyshevs band-pass filter theory, in part, to optimize the circuit design. The analytical results revealed that a high characteristic-impedance ratio between the distributed junctions and the microstripline is necessary to obtain broadband matching using low-current-density junctions. The experimental results for all-NbN SIS mixers we designed with this method demonstrated double-sideband (DSB) receiver-noise temperatures of 6–10 quanta from 710 to 810 GHz for a mixer with a current density of only 4 kA/cm2 (estimated CJRN product of 37 at 750 GHz). The RF bandwidth was broader than that of a conventional full-wave distributed SIS mixer with the same current density. 相似文献