全文获取类型
收费全文 | 1988篇 |
免费 | 31篇 |
国内免费 | 13篇 |
专业分类
化学 | 1131篇 |
晶体学 | 30篇 |
力学 | 28篇 |
数学 | 355篇 |
物理学 | 488篇 |
出版年
2021年 | 16篇 |
2020年 | 25篇 |
2018年 | 20篇 |
2017年 | 13篇 |
2016年 | 27篇 |
2015年 | 27篇 |
2014年 | 26篇 |
2013年 | 123篇 |
2012年 | 71篇 |
2011年 | 61篇 |
2010年 | 48篇 |
2009年 | 40篇 |
2008年 | 71篇 |
2007年 | 85篇 |
2006年 | 78篇 |
2005年 | 58篇 |
2004年 | 51篇 |
2003年 | 54篇 |
2002年 | 39篇 |
2001年 | 32篇 |
2000年 | 35篇 |
1999年 | 37篇 |
1998年 | 19篇 |
1997年 | 28篇 |
1996年 | 44篇 |
1995年 | 36篇 |
1994年 | 32篇 |
1993年 | 42篇 |
1992年 | 38篇 |
1991年 | 24篇 |
1990年 | 27篇 |
1989年 | 23篇 |
1988年 | 25篇 |
1987年 | 15篇 |
1986年 | 21篇 |
1985年 | 31篇 |
1984年 | 29篇 |
1983年 | 23篇 |
1981年 | 20篇 |
1980年 | 18篇 |
1979年 | 26篇 |
1978年 | 22篇 |
1977年 | 32篇 |
1976年 | 35篇 |
1975年 | 36篇 |
1974年 | 36篇 |
1973年 | 50篇 |
1972年 | 27篇 |
1971年 | 18篇 |
1967年 | 19篇 |
排序方式: 共有2032条查询结果,搜索用时 0 毫秒
11.
The adsorption of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0) has been investigated using density functional theory (DFT). While experimental studies of CN on Cu(1 1 1) show the molecular axis to be essentially parallel to the surface, the normally-preferred DFT approach using the generalised gradient approximation (GGA) yields a lowest energy configuration with the C-N axis perpendicular to the surface, although calculations using the local density approximation (LDA) do indicate that the experimental geometry is energetically favoured. The same conclusions are found for CN on Ni(1 1 1); on both surfaces bonding through the N atom is always unfavourable, in contrast to some earlier published results of ab initio calculations for Ni(1 1 1)/CN and Ni(1 0 0)/CN. The different predictions of the GGA and LDA approaches may lie in subtly different relative energies of the CN 5σ and 1π orbitals, a situation somewhat similar to that for CO adsorbed on Pt(1 1 1) which has proved challenging for DFT calculations. On Ni(1 0 0) GGA calculations favour a lying-down species in a hollow site in a geometry rather similar to that found experimentally and in GGA calculations for CN on Ni(1 1 0). 相似文献
12.
M.C. Robinson D.J. Morris P.D. Hayenga J.H. Cho C.D. Richards R.F. Richards D.F. Bahr 《Applied Physics A: Materials Science & Processing》2006,85(2):135-140
Piezoelectric membranes have been fabricated that incorporate a gold bottom electrode with an adhesion layer of titanium–tungsten (10:90 wt. %). For solution-deposited acetic acid based lead zirconate titanate (HoAc-PZT) with a Zr:Ti ratio of 40:60, the film’s average piezoelectric coefficient, e31, is -5.31 C/m2, with a dielectric constant of 814 at 200 Hz, which is similar to values for platinum bottom electrodes. The PZT structure remains columnar on both types of bottom electrodes. Initial fabrication attempts resulted in cracking that initiated in the PZT layer of the structure. X-ray photoelectron spectroscopy was utilized to establish how processing affects diffusion throughout the composite membrane structure. Crack-free membranes were fabricated and tested. This paper discusses the performance properties and piezoelectric fatigue results for these membranes. PACS 77.84.-s; 77.84.Lf 相似文献
13.
Erica L. Plambeck Bor-Ruey Fu Stephen M. Robinson Rajan Suri 《Mathematical Programming》1996,75(2):137-176
In this paper we propose a method for optimizing convex performance functions in stochastic systems. These functions can include
expected performance in static systems and steady-state performance in discrete-event dynamic systems; they may be nonsmooth.
The method is closely related to retrospective simulation optimization; it appears to overcome some limitations of stochastic
approximation, which is often applied to such problems. We explain the method and give computational results for two classes
of problems: tandem production lines with up to 50 machines, and stochastic PERT (Program Evaluation and Review Technique)
problems with up to 70 nodes and 110 arcs.
Sponsored by the National Science Foundation under grant number CCR-9109345, by the Air Force Systems Command, USAF, under
grant numbers F49620-93-1-0068 and F49620-95-1-0222, by the U.S. Army Research Office under grant number DAAL03-92-G-0408,
and by the U.S. Army Space and Strategic Defense Command under contract number DASG60-91-C-0144. The U.S. Government has certain
rights in this material, and is authorized to reproduce and distribute reprints for Governmental purposes notwithstanding
any copyright notation thereon.
Sponsored by a Wisconsin/Hilldale Research Award, by the U.S. Army Space and Strategic Defense Command under contract number
DASG60-91-C-0144, and the Air Force Systems Command, USAF, under grant number F49620-93-1-0068.
Sponsored by the National Science Foundation under grant number DDM-9201813. 相似文献
14.
15.
16.
A procedure for the simultaneous assay of clebopride and its major metabolite N-desbenzylclebopride in plasma has been developed. The method utilizes capillary gas chromatography-negative-ion chemical ionization mass spectrometry with selected-ion monitoring of characteristic ions. Employing 2-ethoxy analogues as internal standards, the benzamides were extracted from basified plasma using dichloromethane. Subsequent reaction with heptafluorobutyric anhydride produced volatile mono- and diheptafluorobutyryl derivatives of clebopride and N-desbenzylclebopride, respectively. The methane negative-ion mass spectra of these derivatives exhibited intense high-mass ions ideal for specific quantitation of low levels in biological fluids. Using this procedure the recovery of the drug and metabolite from human plasma was found to be 84.4 +/- 1.5% (n = 3) and 77.4 +/- 4.7% (n = 3), respectively, at 0.5 ng/ml. Measurement of both compounds down to 0.10 ng/ml with a coefficient of variation of less than 10.5% is described. Plasma levels are reported in four volunteers up to 24 h following oral administration of 1 mg of clebopride malate salt. 相似文献
17.
We explore here an approach to mimic the structures and biological functions of protein loops in small synthetic molecules, by grafting the loop of interest onto an organic template comprising a bicyclic diketopiperazine, prepared by the formal coupling of (2S,4S)-4-aminoproline (Pro(NH2)) and aspartic acid (Asp). The Fmoc-protected template 4 is used to prepare cyclo(-Ala1-Asn2-Pro3-Asn4-Ala5- Ala6-Temp-) ( 5 ) and cyclo(-Ala1-Arg2-Gly3-Asp4-Temp-) ( 6 ) (where Temp = template derived from 4 ), containing the Asn-Pro-Asn-Ala (NPNA) and Arg-Gly-Asp (RGD) motifs. The conformational properties of these molecules are studied in aqueous solution by NMR and simulated-annealing methods. The NPNA motif, an immunodominant epitope on the circumsporozoite surface protein of the malaria parasite Plasmodium falciparum, is shown to adopt a stable type-I β-turn in 5 . The template in 5 adopts a preferred conformation with Pro(NH2)χ1 ≈? ?35° and the Asp moiety χ1 ≈? 70°. A different template conformation is inferred for 6 , with Pro(NH2)χ1 ≈? 0°, but the ARGD loop appears by NMR to undergo rapid conformational averaging. Solid-phase binding assays reveal that 6 displays modest antagonist activity towards both the integrin αIIbβ3 and αvβ3 receptors. 相似文献
18.
Summers MA Kemper PR Bushnell JE Robinson MR Bazan GC Bowers MT Buratto SK 《Journal of the American Chemical Society》2003,125(17):5199-5203
In this article, we describe, for the first time, direct comparisons of the detailed structures of two small molecule organic semiconductors, oligo(phenylenvinylene) (OPV) molecules with chains of five and six phenyl rings (5R-OC(8)H(17) and 6R-OC(8)H(17)), respectively, and their luminescence properties on a single molecule level. Our data originate from a combination of two powerful diagnostic tools in physical chemistry: ion mobility and single molecule fluorescence spectroscopy. These techniques enable us to precisely determine the shapes of isolated molecules in the gas phase and to correlate these structures to the emission from single molecules supported on bare glass substrates. The principal structural uncertainty in OPVs is the (possible) presence and location of cis-vinylene linkages (cis-defects) in the oligomer. The results show that the structures observed in the gas phase are strongly correlated to the categories of molecules observed in the single molecule polarization anisotropy measurements with nearly identical distributions for the two OPV molecules studied. Each category is also characterized by the luminescence efficiency of the molecules in each class, providing a direct correlation between the luminescence efficiency and the shape of the molecule. This combination of techniques provides a level of information far beyond that obtained via any other analytical technique. 相似文献
19.
20.