全文获取类型
收费全文 | 810篇 |
免费 | 34篇 |
国内免费 | 8篇 |
专业分类
化学 | 495篇 |
晶体学 | 7篇 |
力学 | 12篇 |
数学 | 147篇 |
物理学 | 191篇 |
出版年
2023年 | 3篇 |
2022年 | 9篇 |
2021年 | 10篇 |
2020年 | 19篇 |
2019年 | 18篇 |
2018年 | 15篇 |
2017年 | 13篇 |
2016年 | 20篇 |
2015年 | 22篇 |
2014年 | 26篇 |
2013年 | 46篇 |
2012年 | 56篇 |
2011年 | 81篇 |
2010年 | 44篇 |
2009年 | 29篇 |
2008年 | 47篇 |
2007年 | 56篇 |
2006年 | 76篇 |
2005年 | 57篇 |
2004年 | 62篇 |
2003年 | 51篇 |
2002年 | 27篇 |
2001年 | 13篇 |
2000年 | 4篇 |
1999年 | 8篇 |
1998年 | 9篇 |
1997年 | 7篇 |
1996年 | 5篇 |
1995年 | 5篇 |
1994年 | 5篇 |
1993年 | 5篇 |
1992年 | 1篇 |
1991年 | 1篇 |
1990年 | 1篇 |
1985年 | 1篇 |
排序方式: 共有852条查询结果,搜索用时 11 毫秒
51.
Yang Y Nesterenko DV Trump RP Yamaguchi K Bartlett PA Drueckhammer DG 《Journal of chemical information and modeling》2005,45(6):1820-1823
Three new virtual databases have been developed for use with the bond-orientation-based database searching program CAVEAT. These consist of a database of trisubstituted monocyclic hydrocarbons having ethyl, vinyl, and phenyl substituents; a database of unsubstituted bicyclic hydrocarbons; and a database of core structures from established combinatorial synthetic methods having hydrogen, ethyl, vinyl, and phenyl substituents at the readily varied positions. Each collection of molecules was subjected to a batch conformational search, minimization, and conversion to a vector database for use with CAVEAT. 相似文献
52.
Throughout this paper, G is a connected semisimple algebraicgroup defined over an algebraically closed field k of characteristiczero, and g is its Lie algebra. 相似文献
53.
Let h be a reductive subalgebra of a semisimple Lie algebrag and Ch U(h) be the Casimir element determined by the restrictionof the Killing form on g to h. The paper studies eigenvaluesof Ch on the isotropy representation mg/h. Some general estimatesconnecting the eigenvalues and the Dynkin indices of m are given.If h is a symmetric subalgebra, it is shown that describingthe maximal eigenvalue of Ch on exterior powers of m is connectedwith possible dimensions of commutative Lie subalgebras in m,thereby extending a result of Kostant. In this situation, aformula is also given for the maximal eigenvalue of Ch on m.More generally, a similar picture arises if h = g, where isan automorphism of finite order m and m is replaced by the eigenspaceof corresponding to a primitive mth root of unity. 相似文献
54.
Geometric graph composed from a ring and a segment is considered. We deal with the Schrödinger (quantum) and the wave (classical) operators at the edges and the Kirchhoff conditions at the internal vertex. The lengths of the graph edges varies in time. Time evolution of a wave packet is studied in classical and quantum cases. 相似文献
55.
56.
Quantum detector properties of the quantum point contact (QPC) are analyzed for an arbitrary electron transparency and coupling strength to the measured system and are shown to be determined by the electron counting statistics. Conditions of the quantum-limited operation of the QPC detector, which prevent information loss through the scattering time and scattering phases, are found for arbitrary coupling. We show that the phase information can be restored and used for the quantum-limited detection by inclusion of the QPC detector in the electronic Mach-Zehnder interferometer. 相似文献
57.
Catalyzed collapse and enhanced hydrogen storage of BN nanotubes 总被引:1,自引:0,他引:1
Tang C Bando Y Ding X Qi S Golberg D 《Journal of the American Chemical Society》2002,124(49):14550-14551
The novel morphology of BN nanotubes with a collapsed structure has been discovered by a metal-catalyzed treatment. The collapse causes the dramatic enlargement of a specific surface area of BN nanotubes and remarkably enhances the hydrogen storage capacity of BN nanotubes. 相似文献
58.
Alex van der Ham Thomas Hansen Dr. Gerrit Lodder Dr. Jeroen D. C. Codée Dr. Trevor A. Hamlin Dr. Dmitri V. Filippov 《Chemphyschem》2019,20(16):2103-2109
Lithium ion selective crown ethers have been the subject of much research for a multitude of applications. Current research is aimed at structurally rigidifying crown ethers, as restructuring of the crown ether ring upon ion binding is energetically unfavorable. In this work, the lithium ion binding ability of the relatively rigid 8-crown-4 was investigated both computationally by density functional theory calculations and experimentally by 1H and 7Li NMR spectroscopy. Although both computational and experimental results showed 8-crown-4 to bind lithium ion, this binding was found to be weak compared to larger crown ethers. The computational analysis revealed that the complexation is driven by enthalpy rather than entropy, illustrating that rigidity is only of nominal importance. To elucidate the origin of the favorable interaction of lithium ion with crown ethers, activation strain analyses and energy decomposition analyses were performed pointing to the favorable interaction being mainly electrostatic in nature. 8-crown-4 presents the smallest crown ether reported to date capable of binding lithium ion, possessing two distinct conformations from which it is able to do so. 相似文献
59.
Kriegel I Jiang C Rodríguez-Fernández J Schaller RD Talapin DV da Como E Feldmann J 《Journal of the American Chemical Society》2012,134(3):1583-1590
The optical properties of stoichiometric copper chalcogenide nanocrystals (NCs) are characterized by strong interband transitions in the blue part of the spectral range and a weaker absorption onset up to ~1000 nm, with negligible absorption in the near-infrared (NIR). Oxygen exposure leads to a gradual transformation of stoichiometric copper chalcogenide NCs (namely, Cu(2-x)S and Cu(2-x)Se, x = 0) into their nonstoichiometric counterparts (Cu(2-x)S and Cu(2-x)Se, x > 0), entailing the appearance and evolution of an intense localized surface plasmon (LSP) band in the NIR. We also show that well-defined copper telluride NCs (Cu(2-x)Te, x > 0) display a NIR LSP, in analogy to nonstoichiometric copper sulfide and selenide NCs. The LSP band in copper chalcogenide NCs can be tuned by actively controlling their degree of copper deficiency via oxidation and reduction experiments. We show that this controlled LSP tuning affects the excitonic transitions in the NCs, resulting in photoluminescence (PL) quenching upon oxidation and PL recovery upon subsequent reduction. Time-resolved PL spectroscopy reveals a decrease in exciton lifetime correlated to the PL quenching upon LSP evolution. Finally, we report on the dynamics of LSPs in nonstoichiometric copper chalcogenide NCs. Through pump-probe experiments, we determined the time constants for carrier-phonon scattering involved in LSP cooling. Our results demonstrate that copper chalcogenide NCs offer the unique property of holding excitons and highly tunable LSPs on demand, and hence they are envisaged as a unique platform for the evaluation of exciton/LSP interactions. 相似文献
60.
Konarev DV Khasanov SS Kornev AB Faraonov MA Troshin PA Lyubovskaya RN 《Dalton transactions (Cambridge, England : 2003)》2012,41(3):791-798
Molecular and ionic complexes of cis-2',5'-di(pyridin-3-yl)pyrrolidino[3',4':1,9](C(60)-I(h))[5,6]fullerene DP3FP with chlorobenzene (C(6)H(5)Cl), manganese(II) tetraphenylporphyrin (Mn(II)TPP) and tetrakis(dimethylamino)ethylene (TDAE) have been obtained for the first time. X-ray single crystal structure determination for the crystalline DP3FP·C(6)H(5)Cl (1) solvate proved unambiguously its molecular structure with the cis-arrangement of chelating 3-pyridyl groups. It has been demonstrated that DP3FP easily forms self-assembled photoactive complexes with metallated porphyrins. For example, the formation of a 1 : 1 complex between DP3FP and zinc (II) tetraphenylporphyrin (Zn(II)TPP) in cyclohexane solution (2) was evidenced using absorption spectroscopy. A successful X-ray single crystal structure determination was performed for a self-assembled triad composed of a DP3FP molecule linked with two Mn(II)TPP molecules in {DP3FP·(Mn(II)TPP)(2)}·(C(6)H(4)Cl(2))(3) (3). A strong organic donor TDAE reduces DP3FP to the radical anion state thus forming an ionic complex (TDAE˙(+))·(DP3FP˙(-))·(C(6)H(4)Cl(2))(1.6) (4). Optical, electronic and magnetic properties of 4 were investigated in detail. The performed studies strongly suggest that pyrrolidinofullerene DP3FP can be used as a building block in the design of various organic materials with advanced optoelectronic and/or magnetic properties. 相似文献