全文获取类型
收费全文 | 4720篇 |
免费 | 1231篇 |
国内免费 | 624篇 |
专业分类
化学 | 3605篇 |
晶体学 | 40篇 |
力学 | 199篇 |
综合类 | 36篇 |
数学 | 524篇 |
物理学 | 2171篇 |
出版年
2024年 | 12篇 |
2023年 | 65篇 |
2022年 | 147篇 |
2021年 | 204篇 |
2020年 | 271篇 |
2019年 | 202篇 |
2018年 | 158篇 |
2017年 | 197篇 |
2016年 | 272篇 |
2015年 | 248篇 |
2014年 | 366篇 |
2013年 | 405篇 |
2012年 | 352篇 |
2011年 | 358篇 |
2010年 | 306篇 |
2009年 | 309篇 |
2008年 | 318篇 |
2007年 | 280篇 |
2006年 | 279篇 |
2005年 | 227篇 |
2004年 | 240篇 |
2003年 | 187篇 |
2002年 | 147篇 |
2001年 | 124篇 |
2000年 | 114篇 |
1999年 | 98篇 |
1998年 | 105篇 |
1997年 | 88篇 |
1996年 | 82篇 |
1995年 | 60篇 |
1994年 | 61篇 |
1993年 | 42篇 |
1992年 | 48篇 |
1991年 | 32篇 |
1990年 | 26篇 |
1989年 | 17篇 |
1988年 | 19篇 |
1987年 | 13篇 |
1986年 | 20篇 |
1985年 | 7篇 |
1984年 | 8篇 |
1982年 | 12篇 |
1981年 | 7篇 |
1980年 | 11篇 |
1979年 | 9篇 |
1977年 | 4篇 |
1976年 | 3篇 |
1975年 | 2篇 |
1974年 | 4篇 |
1973年 | 3篇 |
排序方式: 共有6575条查询结果,搜索用时 328 毫秒
211.
Suppression of the Charge Density Wave State in Two-Dimensional 1T-TiSe2 by Atmospheric Oxidation 下载免费PDF全文
Lifei Sun Chuanhui Chen Dr. Qinghua Zhang Christian Sohrt Tianqi Zhao Dr. Guanchen Xu Jinghui Wang Prof. Dong Wang Prof. Kai Rossnagel Prof. Lin Gu Prof. Chenggang Tao Prof. Liying Jiao 《Angewandte Chemie (International ed. in English)》2017,56(31):8981-8985
Two-dimensional (2D) metallic transition-metal dichalcogenides (TMDCs), such as 1T-TiSe2, have recently emerged as unique platforms for exploring their exciting properties of superconductivity and the charge density wave (CDW). 2D 1T-TiSe2 undergoes rapid oxidation under ambient conditions, significantly affecting its CDW phase-transition behavior. We comprehensively investigate the oxidation process of 2D TiSe2 by tracking the evolution of the chemical composition and atomic structure with various microscopic and spectroscopic techniques and reveal its unique selenium-assisting oxidation mechanism. Our findings facilitate a better understanding of the chemistry of ultrathin TMDCs crystals, introduce an effective method to passivate their surfaces with capping layers, and thus open a way to further explore the functionality of these materials toward devices. 相似文献
212.
Bijesh Sekaran Youngwoo Jang Prof. Dr. Rajneesh Misra Prof. Dr. Francis D'Souza 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(56):12991-13001
A new set of free-base and zinc(II)-metallated, β-pyrrole-functionalized unsymmetrical push–pull porphyrins were designed and synthesized via β-mono- and dibrominated tetraphenylporphyrins using Sonogashira cross-coupling reactions. The ability of donors and acceptors on the push–pull porphyrins to produce high-potential charge separated states was investigated. The porphyrins were functionalized at the opposite β,β′-pyrrole positions of porphyrin ring bearing triphenylamine push groups and naphthalimide pull groups. Systematic studies involving optical absorption, steady-state and time-resolved emission revealed existence of intramolecular type interactions both in the ground and excited states. The push–pull nature of the molecular systems was supported by frontier orbitals generated on optimized structures, wherein delocalization of HOMO over the push group and LUMO over the pull group connecting the porphyrin π-system was witnessed. Electrochemical studies were performed to visualize the effect of push and pull groups on the overall redox potentials of the porphyrins. Spectroelectrochemical studies combined with frontier orbitals helped in characterizing the one-electron oxidized and reduced porphyrins. Finally, by performing transient absorption studies in polar benzonitrile, the ability of push–pull porphyrins to produce charge-separated states upon photoexcitation was confirmed and the measured rates were in the range of 109 s−1. The lifetime of the final charge separated state was around 5 ns. This study ascertains the importance of push–pull porphyrins in solar energy conversion and diverse optoelectronic applications, for which high-potential charge-separated states are warranted. 相似文献
213.
《Journal of polymer science. Part A, Polymer chemistry》2018,56(15):1630-1644
To better understand the structure–property relationships, two novel aromatic diamines containing tetraphenyl fluorene (TPF) moiety through triphenylamine (TPA) unit and carbazole (Cz) unit modification are designed and synthesized, respectively. Four thermally stable and excellent solubility polyimides are prepared and characterized. The excellent film‐formation ability and thin film stability are investigated by X‐ray diffraction (XRD) and atom force microscopy (AFM) measurements, respectively. The memory devices are fabricated, PIs films with low water uptakes sandwiched between indium‐tin oxide (ITO) ground electrode and Al top electrode, and exhibit nonvolatile write‐once read‐many‐times (WORM) memory behaviors with low threshold voltages, due to increasing the retention time through regulating the energy level. The current conduction mechanisms of all devices are linearly fitted by theoretical conduction model. Molecular simulations are used to demonstrate switching mechanism and the memory effects. The experimental results provide a sight for the design‐adjustable switching voltage of memory devices. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 1630–1644 相似文献
214.
Fathia Rajah Mohsen Graia Tahar Mhiri 《Phosphorus, sulfur, and silicon and the related elements》2013,188(9):1244-1253
Abstract Sodium copper (II) arsenate Na7Cu4(AsO4)5 has been grown by conventional high-temperature, solid-state methods in molten-salt media. It was characterized by single crystal X-ray diffraction (XRD), thermal analysis (DTA–TGA), scanning electron microscopy (SEM), semiquantitative energy dispersive spectroscopy analysis (EDS), and vibrational spectroscopy. Na7Cu4(AsO4)5 exhibits a three-dimensional framework built up of CuO5, CuO4, and AsO4 polyhedra, with intersecting channels in which the Na+ cations are located. The three-dimensional cohesion of the framework results from Cu–O–As bridges. CuO5 and CuO4 polyhedra are elongated due to the Jahn–Teller effect, whereas AsO4 tetrahedra are almost regular. This new structural model is validated by the charge distribution (CD) analysis. The infrared and Raman spectra confirmed the presence of AsO4 tetrahedra. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional tables and figures.] 相似文献
215.
《Journal of computational chemistry》2017,38(13):1005-1014
The fully polarizable, multipolar, and atomistic force field protein FFLUX is being built from machine learning (i.e., kriging) models, each of which predicts an atomic property. Each atom of a given protein geometry needs to be assigned such a kriging model. Such a knowledgeable atom needs to be informed about a sufficiently large environment around it. The resulting complexity can be tackled by collecting the 20 natural amino acids into a few groups. Using substituted deca‐alanines, we present the proof‐of‐concept that a given atom's charge can be modeled by a few kriging models only. © 2017 Wiley Periodicals, Inc. 相似文献
216.
217.
218.
219.
220.
Paul Kautny Dorian Bader Dr. Berthold Stöger Prof. Dr. Georg A. Reider Prof. Dr. Johannes Fröhlich Dr. Daniel Lumpi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(52):18887-18898
To shed light on intramolecular charge‐transfer phenomena in 1,2,3‐triazole‐linked materials, a series of 1,2,3‐triazole‐linked push–pull chromophores were prepared and studied experimentally and computationally. Investigated modifications include variation of donor and/or acceptor strength and linker moiety as well as regioisomers. Photophysical characterization of intramolecular charge‐transfer features revealed ambipolar behavior of the triazole linker, depending on the substitution position. Furthermore, non‐centrosymmetric materials were subjected to second‐harmonic generation measurements, which revealed the high nonlinear optical activity of this class of materials. 相似文献