全文获取类型
收费全文 | 1619篇 |
免费 | 71篇 |
国内免费 | 5篇 |
专业分类
化学 | 1342篇 |
晶体学 | 5篇 |
力学 | 13篇 |
数学 | 112篇 |
物理学 | 223篇 |
出版年
2024年 | 3篇 |
2023年 | 5篇 |
2022年 | 87篇 |
2021年 | 100篇 |
2020年 | 37篇 |
2019年 | 41篇 |
2018年 | 33篇 |
2017年 | 35篇 |
2016年 | 66篇 |
2015年 | 50篇 |
2014年 | 60篇 |
2013年 | 107篇 |
2012年 | 128篇 |
2011年 | 134篇 |
2010年 | 69篇 |
2009年 | 71篇 |
2008年 | 105篇 |
2007年 | 102篇 |
2006年 | 68篇 |
2005年 | 90篇 |
2004年 | 65篇 |
2003年 | 40篇 |
2002年 | 45篇 |
2001年 | 9篇 |
2000年 | 14篇 |
1999年 | 9篇 |
1998年 | 8篇 |
1997年 | 8篇 |
1996年 | 12篇 |
1995年 | 7篇 |
1994年 | 5篇 |
1993年 | 10篇 |
1992年 | 6篇 |
1991年 | 4篇 |
1990年 | 4篇 |
1989年 | 5篇 |
1988年 | 2篇 |
1987年 | 7篇 |
1986年 | 8篇 |
1985年 | 2篇 |
1984年 | 5篇 |
1982年 | 2篇 |
1981年 | 3篇 |
1980年 | 3篇 |
1979年 | 4篇 |
1975年 | 3篇 |
1974年 | 3篇 |
1967年 | 2篇 |
1963年 | 1篇 |
1962年 | 2篇 |
排序方式: 共有1695条查询结果,搜索用时 15 毫秒
31.
Herein, we outline a method that is able to generate truly minimal basis sets that accurately describe either a group of bands, a band, or even just the occupied part of a band. These basis sets are the so-called NMTOs, muffin-tin orbitals of order N. For an isolated set of bands, symmetrical orthonormalization of the NMTOs yields a set of Wannier functions that are atom-centered and localized by construction. They are not necessarily maximally localized, but may be transformed into those Wannier functions. For bands that overlap others, Wannier-like functions can be generated. It is shown that NMTOs give a chemical understanding of an extended system. In particular, orbitals for the pi and sigma bands in an insulator, boron nitride, and a semimetal, graphite, will be considered. In addition, we illustrate that it is possible to obtain Wannier-like functions for only the occupied states in a metallic system by generating NMTOs for cesium. Finally, we visualize the pressure-induced s-->d transition. 相似文献
32.
Jadwiga Laska Joanna Widlarz Ewa Wo
ny 《Journal of polymer science. Part A, Polymer chemistry》2002,40(21):3562-3569
The precipitation polymerization of aniline in the presence of organic acids, including toluene‐4‐sulfonic acid, phenylphosphonic acid, 4‐aminophenylphosphonic acid, and acetophosphonic acid, led in one step to conductive polyaniline. The polyaniline showed very good affinity for water and was easily modified to be water‐soluble. In comparison with the widely studied postpolymerization of doped polyaniline, this reaction allowed reasonably good conductivity to be achieved at a lower acid/polyaniline ratio. Moreover, the easy in situ incorporation of the dopant into the polymer structure caused high stability of the created salt; that is, no dedoping was observed after it was washed with water, methanol, or other solvents. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3562–3569, 2002 相似文献
33.
The kinetics of the oxidation of promazine and chlorpromazine by hexaimidazolcobalt(III) were studied in the presence of a
large excess of cobalt(III) and H+ ions using u.v.–vis. spectroscopy ([CoIII] = (1–6) × 10−3 m, [ptz] = (2.5–10) × 10−5 m, [H+] = 0.05–0.8 m, I = 1.0 m (H+, Na+, Cl−), T = 333–353 K, l = 1 cm). In each case, the reversible reaction leads to formation of cobalt(II) species and a stable cationic radical. A
linear dependence of the pseudo-first-order rate constant (kobs) on [CoIII] with a non-zero intercept was established for both phenothiazine derivatives. A marked difference in the observed reaction
rate for promazine and chlorpromazine is associated with the difference in its ability to undergo oxidation and is consistent
with a trend in the redox potential changes for these reductants. The activation parameters for reactions studied were determined.
Mechanistic consequences of all the results are discussed. 相似文献
34.
Ivan Leban Boenna Golankiewicz Joanna Zeidler Gerald Giester Joe Kobe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o133-o135
In the title compound, C13H13N5O4·H2O (4,5′‐cyclowyosine·H2O), the cyclization forces a syn arrangement of the aglycon with respect to the sugar moiety. The ribofuranose part of the molecule displays a β‐d configuration with an envelope C1′‐endo pucker. The molecules are arranged in columns along the short a axis and are linked to water molecules through O—H?O and O—H?N hydrogen bonds. 相似文献
35.
Synthesis and properties of chiral ammonium-based ionic liquids 总被引:1,自引:0,他引:1
New chiral ammonium-based ionic liquids containing the (1R,2S,5R)-(-)-menthyl group can be easily and efficiently prepared under ambient conditions. The preparation and characterization of trialkyl[(1R,2S,5R)-(-)-menthoxymethyl]ammonium salts is reported. The salts have been demonstrated to be air- and moisture-stable under ambient conditions and can be readily used in a variety of standard experimental procedures. The single-crystal X-ray structure of butyldimethyl[(1R,2S,5R)-(-)-menthoxymethyl]ammonium chloride has been determined. The chiral, room-temperature ionic liquids have been characterized by physical properties such as specific rotation, density, viscosity, thermal degradation, and glass transition temperature. Trialkyl[(1R,2S,5R)-(-)-menthoxymethyl]ammonium chloride prototype ionic liquids have also been found to exhibit strong antimicrobial and high antielectrostatic activities. 相似文献
36.
JPC – Journal of Planar Chromatography – Modern TLC - The chromatographic properties of valerenic and rosmarinic acids have been studied by normal- and reversed-phase TLC with eight... 相似文献
37.
38.
Ewa Machalska Grzegorz Zajac Malgorzata Baranska Dorota Kaczorek Robert Kawcki Piotr F. J. Lipiski Joanna E. Rode Jan Cz. Dobrowolski 《Chemical science》2021,12(3):911
Raman optical activity (ROA) spectra recorded for a chiral naphthalene diimide derivative (nBu-NDI–BINAM) dissolved in a series of solvents exhibit strong solute to solvent induced chirality with: (1) dominating bands of solvents, (2) nBu-NDI–BINAM resonance ROA (RROA) bands which are barely visible, (3) monosignate RROA Solvent spectra with an unexpected sign concordant with that of the ECD band of the resonant electronic state, (4) bisignate RROA bands for a few solvents, and (5) superposition of non-resonant and resonant ROA bands of the chiral solvents. The unusual ROA enhancement was explained in terms of resonance energy transfer with resonant Raman emission. The surprising RROA sign-switching was found to be due to specific conformational equilibria where one solute conformer dominates in the ground and the other in the first excited singlet state, and, the signs of the related ECD bands of these two conformers are opposite.Unusual solute to solvent induced chirality in ROA comes from specific conformer equilibria in the ground and the excited states. 相似文献
39.
As a prelude to development of a human vaccine against Lyme disease, the first chemical synthesis of glycolipid antigens of Borrelia burkholderi is reported. First, cholesteryl β-d-galactopyranoside was synthesized and was converted to partially protected congeners having the HO-6 group of the galactose moiety unprotected. Treatment of these intermediates with palmitic and oleic acid, respectively, under dehydrative conditions followed by removal of the protecting groups afforded cholesteryl 6-O-palmitoyl/oleoyl-β-d-galactopyranosides that were identical to the glycolipids isolated from B. burkholderi. 相似文献
40.
Joanna Szpunar-Łobińska Michiel Ceulemans Wilfried Dirkx Claudia Witte Ryszard Łobiński Freddy C. Adams 《Mikrochimica acta》1994,113(3-6):287-298
Interferences in trace and ultratrace speciation analysis of organotin and organolead compounds in various samples by gas chromatography coupled with atomic absorption spectrometry (AAS) and/or microwave induced plasma atomic emission spectrometry (MIP AES) are investigated. Particular attention is given to the effects of matrix co-extractives and reagents impurities introduced during sample preparation. Their influence on the detection limits is discussed in terms of baseline noise level, blank value, formation of artefacts and signal suppression. Loss of column resolution during the analysis of some matrices is observed. 相似文献