全文获取类型
收费全文 | 619篇 |
免费 | 21篇 |
国内免费 | 4篇 |
专业分类
化学 | 396篇 |
晶体学 | 1篇 |
力学 | 10篇 |
数学 | 110篇 |
物理学 | 127篇 |
出版年
2023年 | 9篇 |
2022年 | 8篇 |
2021年 | 7篇 |
2020年 | 13篇 |
2019年 | 14篇 |
2018年 | 12篇 |
2017年 | 11篇 |
2016年 | 25篇 |
2015年 | 15篇 |
2014年 | 18篇 |
2013年 | 43篇 |
2012年 | 38篇 |
2011年 | 50篇 |
2010年 | 28篇 |
2009年 | 31篇 |
2008年 | 38篇 |
2007年 | 35篇 |
2006年 | 36篇 |
2005年 | 33篇 |
2004年 | 36篇 |
2003年 | 17篇 |
2002年 | 21篇 |
2001年 | 5篇 |
2000年 | 5篇 |
1999年 | 14篇 |
1998年 | 6篇 |
1997年 | 5篇 |
1996年 | 7篇 |
1995年 | 7篇 |
1994年 | 10篇 |
1993年 | 5篇 |
1992年 | 5篇 |
1991年 | 6篇 |
1990年 | 5篇 |
1988年 | 1篇 |
1986年 | 1篇 |
1985年 | 1篇 |
1984年 | 7篇 |
1983年 | 4篇 |
1982年 | 5篇 |
1981年 | 1篇 |
1980年 | 2篇 |
1979年 | 1篇 |
1978年 | 1篇 |
1976年 | 1篇 |
1973年 | 1篇 |
排序方式: 共有644条查询结果,搜索用时 0 毫秒
1.
2.
Atomic populations and localization [lambda(A)] and delocalization [delta(A,B)] indices (LIs and DIs) are calculated for a large set of molecules at the Hartree-Fock (HF), MP2, MP4(SDQ), CISD, and QCISD levels with the 6-311++G(2d,2p) basis set. The HF method and the conventional correlation methods [MP2, MP4(SDQ), CISD, and QCISD] yield distinct sets of LIs and DIs. Yet, within the four conventional correlation methods the differences in atomic populations and LIs and DIs are small. Relative to HF, the conventional correlation methods [MP2, MP4(SDQ), CISD, QCISD] yield virtually the same LIs and DIs for molecules with large charge separations while LIs and DIs that differ significantly from the HF values--the LIs are increased and DIs decreased--are obtained for bonds with no or small charge separations. Such is the case in the archetypal homopolar molecules HC(triple bond)CH, H2C=CH2, CH3-CH3, and "protonated cyclopropane" C(3)H(7) (+), in which case the bonding may be atypical. Relative to HF, the typical effect of the conventional correlation methods is to decrease the DI between atoms. 相似文献
3.
5.
We use molecular dynamics simulations to investigate the structure of the hydrated Na-Nafion membranes. The membrane is "prepared" by starting with the Nafion chains placed on a cylinder having the water inside it. Minimizing the energy of the system leads to a filamentary hydrophilic domain whose structure depends on the degree of hydration. At 5 wt % water the system does not have enough water molecules to solvate all the ions that could be formed by the dissociation of the -SO3Na groups. As a result, the -SO3Na groups aggregate with the water to form very small droplets that do not join into a continuous phase. The size of the droplets is between 5 and 8 A. As the amount of water present in the membrane is increased, the membrane swells, and SO3Na has an increasing tendency to dissociate into ions. Furthermore, a transition to a percolating hydrophilic network is observed. In the percolating structure, the water forms irregular curvilinear channels branching in all directions. The typical dimension of the cross section of these channels is about 10-20 A. Calculated neutron scattering from the simulated system is in qualitative agreement with experiment. In all simulations, the pendant sulfonated perfluorovinyl side chains of the Nafion hug the walls of the hydrophilic channel, while the sulfonate groups point toward the center of the hydrophilic phase. The expulsion of the side chains from the hydrophilic domain is favored because it allows better interaction between the water molecules. We have also examined the probability of finding water molecules around the Na+ and the -SO3(-) ions as well as the probability of finding other water molecules next to a given water molecule. These probabilities are much broader than those found in bulk water or for one ion in bulk water (calculated with the potentials used in the present simulation). This is due to the highly inhomogeneous nature of the material contained in the small hydrophilic pores. 相似文献
6.
Nick Herbert 《Foundations of Physics》1982,12(12):1171-1179
The FLASH communicator consists of an apparatus which can distinguish between plane unpolarized (PUP) and circularly unpolarized (CUP) light plus a simple EPR arrangement. FLASH exploits the peculiar properties of measurements of the Third Kind. One purpose of this article is to focus attention on the operation of idealized laser gain tubes at the one-photon limit.FLASH: acronym for First Laser-Amplified Superluminal Hookup. 相似文献
7.
Salter L Clifford T Morley N Gould D Campbell S Curnow A 《Journal of photochemistry and photobiology. B, Biology》2004,75(1-2):57-61
Comet assay data (tail DNA %) have been gathered for the concentration dependent role of three antioxidants (AOs); quercetin (Q), epigallocatechin gallate (EGCG) and N-acetylcysteine (NAC) in reducing UV-induced damage to DNA in normal fetal lung fibroblasts (MRC5). All three compounds demonstrate a concentration dependent reduction maximum with a pro-oxidant effect at higher (though not cytotoxic) concentrations. Manipulation of a simple 4-step reaction mechanism for free radical (FR) scavenging by AOs produced rate constant ratios which allowed the relative effectiveness (Q > EGCG > NAC) of the AOs to be evaluated. 相似文献
8.
9.
Dr. Sumith A. Kularatne Vishal Deshmukh Dr. Marco Gymnopoulos Dr. Sandra L. Biroc Dr. Jinming Xia Shailaja Srinagesh Dr. Ying Sun Dr. Ning Zou Dr. Mark Shimazu Dr. Jason Pinkstaff Dr. Semsi Ensari Nick Knudsen Anthony Manibusan Dr. Jun Y. Axup Dr. Chan Hyuk Kim Prof. Vaughn V. Smider Dr. Tsotne Javahishvili Prof.Dr. Peter G. Schultz 《Angewandte Chemie (International ed. in English)》2013,52(46):12101-12104
10.