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61.
Hidenori Hanaoka Yuka Imamoto Takahiro Hino Tetsuya Kohno Kazunori Yanagi Yoshiaki Oda 《Journal of polymer science. Part A, Polymer chemistry》2007,45(16):3668-3676
Chromium catalysts combined with phosphorous‐bridged bisphenoxy ligands were found to be highly active for ethylene polymerization. The most efficient catalyst precursor among them, generated by combining bis[3‐tert‐butyl‐5‐methyl‐2‐hydroxyphenyl](phenyl)phosphine hydrochloride ( 1a ) and CrCl3(THF)3, was characterized. X‐ray analysis of (3‐tert‐butyl‐5‐methyl‐2‐phenoxy)(3‐tert‐butyl‐5‐methyl‐ 2‐hydroxyphenyl)(phenyl)phosphine bis(tetrahydrofuran)chromium dichloride ( 6 ), obtained by the reaction of 1a and CrCl3(THF)3 in the presence of NaH, revealed a unique structure in which one phenol moiety of the bisphenol did not coordinate to the chromium center. Complex 6 showed higher activities than those observed in the in situ catalyst system. Polyethylene of various molecular weights was obtained with differing activators. The highest activity (113.5 kg mmol (cat)?1 h?1) was observed when TIBA/TB was used as a cocatalyst. A medium molecular weight polymer with narrow molecular weight distribution (Mw = 128,700, Mw/Mn = 1.8) was obtained using a 6 ‐TIBA/B(C6F5)3 system. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3668–3676, 2007 相似文献
62.
Yuki H Tanaka Y Hata M Ishikawa H Neya S Hoshino T 《Journal of computational chemistry》2007,28(6):1091-1099
No explicit pi-pi interaction term has been incorporated in the conventional molecular dynamics (MD) simulation programs in spite of its significant role in the folding of biomolecules and the clustering of organic chemicals. In this article, we propose a technique to emphasize the effect of pi-pi interactions using a function of energy and implement it into an MD simulation program. Several trial calculations show that the pi-pi incorporated program gives improved results consistent with experimental data on atom geometry and has no unfavorable interference with the conventional computational framework. This indicates an importance of the explicit consideration of pi-pi interactions in MD simulation. 相似文献
63.
This Feature Article describes our recent researches on processing poly(3,4-ethylenedioxythiophene /poly(4-styrenesulfonate) (PEDOT/PSS) colloidal dispersion into thin films which exhibit high conductivity and high transparency, and into microfibers which exhibit high conductivity and high mechanical strength. The state-of-the-art thin films and microfibers are expected to utilize to sophisticated touch screens and wearable electronic devices as organic transparent electrodes and woven electric circuits, respectively. 相似文献
64.
Kinoshita H Shinokubo H Oshima K 《Angewandte Chemie (International ed. in English)》2005,44(16):2397-2400
65.
Anjima H Tsukamoto S Mori H Mine M Klobukowski M Miyoshi E 《Journal of computational chemistry》2007,28(15):2424-2430
We developed new model core potentials (MCPs) for s-block elements from Na to Ra, in which the outer core (n-1)s and (n-1)p electrons are treated explicitly together with the ns electrons. By adding suitable correlating functions, we demonstrated that the present MCP basis sets show excellent performance in describing the electronic structures of atoms and molecules, bringing about accurate ionization potentials of atoms and very good spectroscopic constants of ionic and covalent molecules. The results obtained with the new MCPs are very close to the ones obtained using the all-electron correlation consistent basis sets of Dunning. 相似文献
66.
67.
Nickel(II) complexes of N3O2 donor macrocycles incorporating 17- to 19-membered macrocyclic rings have been prepared. Physical measurements ind 相似文献
68.
ABSTRACT We present an algorithm to construct the automorphism group of a finite p-group. The method works down the lower exponent-p central series of the group. The central difficulty in each inductive step is a stabiliser computation; we introduce various approaches designed to simplify this computation. 相似文献
69.
Hidenori Hiramatsu Hayato Kamioka Kazushige Ueda Hiromichi Ohta Toshio Kamiya Masahiro Hirano Hideo Hosono 《physica status solidi (a)》2006,203(11):2800-2811
Electronic and optical properties of widegap oxychalcogenides, LaCuOCh (Ch = chalcogen) and La2CdO2Se2, are reviewed with a focus on those relevant to their layered crystal structures, including high hole mobility, degenerate p‐type conduction, room temperature exciton, and large third order optical nonlinearity. In particular, the widegap p‐type metallic conduction was realized in Mg‐doped LaCuOSe: the first demonstration among any class of widegap materials including GaN:Mg. Furthermore, we demonstrate the room temperature operation of a blue light‐emitting diode using a pn hetero‐junction composed of a LaCuOSe epilayer and an n‐type amorphous InGaZn5O8. Those results strongly suggest that a series of the layered oxychalcogenides are applicable to the light‐emitting layers in opto‐electronic devices that operate in the ultraviolet–blue region as well as to transparent p‐type conductors. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
70.
Seiji Tanaka Yukinari Oguma Hidenori Echizen Kentaro Yamaguchi Shigeo Kohmoto 《Tetrahedron》2008,64(7):1388-1396
Four-component synthesis of nitroimine derivatives (3) via double nitro-Mannich reaction was carried out in which nitroalkane, two moles of aldehyde, and lithium hexamethyldisilazide (LHMDS) were coupled in one-pot. In situ generated N-trimethylsilylaldimine was reacted with nitroalkane dianion followed by the second addition of the resulting nitrogen anion to the aldimine and the subsequent elimination of bistrimethylsilylamine furnished nitoroimine. The reaction was proceeded with erythro selectivity. 相似文献