全文获取类型
收费全文 | 311篇 |
免费 | 6篇 |
国内免费 | 1篇 |
专业分类
化学 | 175篇 |
晶体学 | 13篇 |
力学 | 3篇 |
数学 | 35篇 |
物理学 | 92篇 |
出版年
2018年 | 2篇 |
2017年 | 3篇 |
2016年 | 6篇 |
2015年 | 4篇 |
2014年 | 5篇 |
2013年 | 12篇 |
2012年 | 12篇 |
2011年 | 15篇 |
2010年 | 9篇 |
2009年 | 11篇 |
2008年 | 19篇 |
2007年 | 16篇 |
2006年 | 14篇 |
2005年 | 11篇 |
2004年 | 6篇 |
2003年 | 14篇 |
2002年 | 6篇 |
2001年 | 2篇 |
2000年 | 3篇 |
1999年 | 5篇 |
1998年 | 3篇 |
1997年 | 2篇 |
1996年 | 3篇 |
1995年 | 4篇 |
1994年 | 4篇 |
1993年 | 4篇 |
1992年 | 5篇 |
1991年 | 4篇 |
1990年 | 3篇 |
1989年 | 2篇 |
1987年 | 5篇 |
1986年 | 3篇 |
1985年 | 6篇 |
1984年 | 6篇 |
1983年 | 3篇 |
1982年 | 9篇 |
1981年 | 7篇 |
1980年 | 4篇 |
1979年 | 5篇 |
1978年 | 6篇 |
1977年 | 6篇 |
1976年 | 6篇 |
1974年 | 3篇 |
1973年 | 4篇 |
1972年 | 5篇 |
1969年 | 3篇 |
1967年 | 2篇 |
1959年 | 2篇 |
1942年 | 2篇 |
1911年 | 2篇 |
排序方式: 共有318条查询结果,搜索用时 15 毫秒
21.
A general quadratic force field is determined for the out-of-plane vibrations of florobenzenes. The force constants for the out-of-plane wagging of both CH and CF bonds decrease by about 10 % for each ortho fluorine substituent. No significant meta dependence could be detected. It is shown that the present field is in excellent accord with the chlorobenzene field of Scherer and with the benzene fields of Whiffen and of Kydd when due allowance is made for differences in coordinate definitions. 相似文献
22.
We use a scanning capacitance probe to image transport in the quantum Hall system. Applying a dc bias voltage to the tip induces a ring-shaped incompressible strip (IS) in the 2D electron system (2DES) that moves with the tip. At certain tip positions, short-range disorder in the 2DES creates a quantum dot island in the IS. These islands enable resonant tunneling across the IS, enhancing its conductance by more than 4 orders of magnitude. The images provide a quantitative measure of disorder and suggest resonant tunneling as the primary mechanism for transport across ISs. 相似文献
23.
John GH May I Sarsfield MJ Steele HM Collison D Helliwell M McKinney JD 《Dalton transactions (Cambridge, England : 2003)》2004,(5):734-740
The first structural characterization of an actinide complex with coordinated perrhenate is reported, [UO2(ReO4)2(TPPO)3] (1). In this [UO2]2+ complex two [ReO4]- anions and three TPPO (triphenylphosphine oxide) P=O donor ligands are coordinated in the equatorial plane in a cisoid arrangement. This bonding arrangement, and apparent strain observed in the equatorially bonded ligands, is attributed to the solid state packing in adjacent molecules in which hydrophobic TPPO ligands form an effective "shell" around a hydrophilic core of two UO2(ReO4)2 moieties. Solid state vibrational spectroscopy (infrared and Raman), 31P CP MAS NMR and elemental analysis are also consistent with the formula of 1. Solution state vibrational spectroscopy and 31P NMR measurements in EtOH indicate the lability of the TPPO and [ReO4]- groups. The photolytic generation of peroxide in EtOH solutions of 1 leads to the formation of trace quantities of [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2, 2, in which the coordinated [ReO4]- groups of 1 have been displaced by bridging O2(2-), derived from atmospheric O2. Finally, attempts to synthesise a [NpO2]+ analogue of have resulted only in the formation of [NpO2(TPPO)4][ReO4], 3, in which [ReO4]- acts solely as a counter anion. From these results it can be concluded that [ReO4]- will bond to [UO2]2+, but will be readily displaced by a more strongly coordinating ligand (e.g. peroxide) and will not coordinate to an actinyl cation with a lower charge, [NpO2]+, under the same reaction conditions. 相似文献
24.
25.
26.
On-the-fly, ab initio classical molecular dynamics are demonstrated with an underlying dual basis set potential energy surface. Dual-basis self-consistent field (Hartree-Fock and density functional theory) and resolution-of-the-identity second-order M?ller-Plesset perturbation theory (RI-MP2) dynamics are tested for small systems, including the water dimer. The resulting dynamics are shown to be faithful representations of their single-basis analogues for individual trajectories, as well as vibrational spectra. Computational cost savings of 58% are demonstrated for SCF methods, even relative to Fock-extrapolated dynamics, and savings are further increased to 71% with RI-MP2. Notably, these timings outperform an idealized estimate of extended-Lagrangian molecular dynamics. The method is subsequently demonstrated on the vibrational absorption spectrum of two NO(+)(H?O)? isomers and is shown to recover the significant width of the shared-proton bands observed experimentally. 相似文献
27.
B. D. Steele D. Mac Intosh und E. H. Archibald 《Fresenius' Journal of Analytical Chemistry》1905,44(10):635
Ohne Zusammenfassung 相似文献
28.
29.
A "tiered" approach to Monte Carlo sampling of nuclear configurations is presented for ab initio, self-consistent field (SCF)-based potentials, including Hartree-Fock and density functional theory. Rather than Metropolis testing only the final SCF energy, individual cycle energies are tested in a tiered fashion, without approximation. Accordingly, rejected configurations are terminated early in the SCF procedure. The method is shown to properly obey detailed balance, and effective modifications are presented for cases in which the initial SCF guess is particularly poor. Demonstrations on simple systems are provided, including an assessment of the thermal properties of the neutral water dimer with B3LYP/6-31++G**. Cost analysis indicates a factor-of-two reduction in SCF cycles, which makes the method competitive with accelerated molecular dynamics sampling techniques, without the need for forces. 相似文献
30.
Priest C Gruner PJ Szili EJ Al-Bataineh SA Bradley JW Ralston J Steele DA Short RD 《Lab on a chip》2011,11(3):541-544
A rapid, high-precision method for localised plasma-treatment of bonded PDMS microchannels is demonstrated. Patterned electrodes were prepared by injection of molten gallium into preformed microchannel guides. The electrode guides were prepared without any additional fabrication steps compared to conventional microchannel fabrication. Alignment of the "injected" electrodes is precisely controlled by the photomask design, rather than positioning accuracy of alignment tools. Surface modification is detected using a fluorescent dye (Rhodamine B), revealing a well-defined micropattern with regions less than 100 μm along the length of the microchannel. 相似文献