全文获取类型
收费全文 | 16606篇 |
免费 | 2667篇 |
国内免费 | 2850篇 |
专业分类
化学 | 11159篇 |
晶体学 | 196篇 |
力学 | 1535篇 |
综合类 | 167篇 |
数学 | 1287篇 |
物理学 | 7779篇 |
出版年
2024年 | 48篇 |
2023年 | 162篇 |
2022年 | 424篇 |
2021年 | 464篇 |
2020年 | 666篇 |
2019年 | 489篇 |
2018年 | 484篇 |
2017年 | 575篇 |
2016年 | 654篇 |
2015年 | 690篇 |
2014年 | 851篇 |
2013年 | 1307篇 |
2012年 | 992篇 |
2011年 | 1130篇 |
2010年 | 924篇 |
2009年 | 1094篇 |
2008年 | 1140篇 |
2007年 | 1252篇 |
2006年 | 1112篇 |
2005年 | 1031篇 |
2004年 | 847篇 |
2003年 | 868篇 |
2002年 | 756篇 |
2001年 | 590篇 |
2000年 | 582篇 |
1999年 | 502篇 |
1998年 | 371篇 |
1997年 | 343篇 |
1996年 | 297篇 |
1995年 | 224篇 |
1994年 | 213篇 |
1993年 | 157篇 |
1992年 | 149篇 |
1991年 | 125篇 |
1990年 | 75篇 |
1989年 | 92篇 |
1988年 | 63篇 |
1987年 | 54篇 |
1986年 | 31篇 |
1985年 | 58篇 |
1984年 | 36篇 |
1983年 | 18篇 |
1982年 | 36篇 |
1981年 | 22篇 |
1980年 | 25篇 |
1979年 | 21篇 |
1978年 | 8篇 |
1977年 | 12篇 |
1976年 | 15篇 |
1973年 | 16篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
1.
Rong Yin Jihui Zhang Xudong Shang 《Mathematical Methods in the Applied Sciences》2020,43(15):8736-8752
This paper is dedicated to studying the following Schrödinger–Poisson system Under some different assumptions on functions V(x), K(x), a(x) and f(u), by using the variational approach, we establish the existence of positive ground state solutions. 相似文献
2.
ABSTRACTQM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S4 state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)4–O(5) bond and the π*-LUMO of the Mn(V)1=O(6) bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn4O6 cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)1=O(6) bond to the σ*-LUMO of the Mn(IV)4–O(5) bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)4–O(5)]-? part is relaxed to the ?Mn(III)4?…?O(5)- structure and the cation radical [O(6)=Mn(V)1]+ ? part is relaxed to the +O(6)–Mn(IV)1? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)4->Mn(III)4 and Mn(V)1->Mn(IV)1. On the other hand, the O(5)- and O(6)+ sites generated undergo the O–O bond formation in the CaMn4O6 cluster. The Ca(II) ion in the cubane- skeleton of the CaMn4O6 cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)1=O(6) and σ*-LUMO of Mn(IV)4–O(5), indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism. 相似文献
3.
ZHAO Shan-Rong CHEN Kai-Xian JIANG Hua-Liang WANG Qin-Mi JI Ru-YunShanghai Institute of Materia Medica Chinese Academy of Sciences Shanghai China 《中国化学》1997,15(1):84-89
We have used quantum mechanical method to study the transition states(TSs) of uridine phosphorolysis reaction. Comparing the four different reaction pathways and the five transition states obtained, we conclude that enzymatic uridine phosphorolysis takes place mainly according to acid-catalyzed SN2 mechanism. The proposed reaction pathway is consistent with many experimental results. 相似文献
4.
固体力学有限元体系的结构拓扑变化理论 总被引:2,自引:1,他引:1
本文是文[1]的继续.文[1]提出了杆件系统的结构拓扑变化理论和拓扑变化法本文将这一理论和方法推进到连续体有限元体系;且在此基础上揭示出有限元体系的一个新性质,称为基本位移之梯度的正交性定理,从而给出一套设计敏度的显式表达式,可直接用于计算. 相似文献
5.
使用SAC/SAC-CI方法,利用D95(d),6-311g**以及cc-PVTZ等基组,对B2分子的基态(X3Σg-)和第一激发态(A3Σu-)的平衡结构和谐振频率进行了优化计算.通过对3个基组的计算结果的比较,得出了D95(d)基组为3个基组中的最优基组的结论;使用D95(d)基组,利用SAC的GSUM(Group Sum of Operators)方法对基态(X3Σg-),SAC-CI的GSUM方法对激发态(A3Σu-)进行单点能扫描计算,用正规方程组拟合Murrell-Sorbie函数,得到了相应电子态的完整势能函数;从得到的势能函数计算了与基态(X3Σg-)和第一激发态(A3Σu-)相对应的光谱常数(Be,αe,ωe和ωeχe),结果与实验数据吻合. 相似文献
6.
Nuclear Magnetic Resonance (NMR) was used to investigate the extrusion behaviour of PTFE pastes in a ram extruder. By means
of 1H-NMR imaging (MRI) it is possible to determine the local proton density and therefore, the local fluid concentration. The
19F-MRI provides the local solid concentration. Thus the local saturation and the local porosity can be calculated with the
information of the local fluid and solid concentration. Furthermore displacement profiles can be derived from NMR images by
means of correlation techniques without any preparation or marking of the pastes.
Received: 8 May 2000 Accepted: 1 May 2001 相似文献
7.
Michael R. Caputo 《Natural Resource Modeling》1989,3(2):241-259
This paper analyzes the extent to which standard dynamic renewable resource models possess refutable implications. Both the steady state comparative static and local comparative dynamic properties of the standard model are studied. A unified framework is developed which enables one to analyze the qualitative properties of any standard renewable resource model. This is achieved by explicitly linking the local stability, steady state comparative static, and local comparative dynamic properties of the model. 相似文献
8.
Cosmic dust and our origins 总被引:1,自引:0,他引:1
J Mayo Greenberg 《Surface science》2002,500(1-3):793-822
The small solid particles in the space between the stars provide the surfaces for the production of many simple and complex molecules. Processes involving the effects of ultraviolet irradiation of the thin (hundredth micron) mantles are shown to produce a wide range of molecules and ions also seen in comets. Some of the more complex ones inferred from laboratory experiments are expected to play an important role in the origin of life. An outline of the chemical evolution of interstellar dust as observed and as studied in the laboratory is presented. Observations of comets are shown to provide substantial evidence for their being fluffy aggregates of interstellar dust as it was in the protosolar nebula, i.e. the interstellar cloud which collapsed to form the solar system. The theory that comets may have brought the progenitors of life to the earth is summarized. 相似文献
9.
Dimitar I. Pushkarov 《Central European Journal of Physics》2004,2(3):420-455
Basic ideas and results which characterize quantum diffusion of defects in quantum crystals like solid helium as a new phenomenon
are presented. Quantum effects in such media lead to a delocalization of point defects (vacancies, impurities etc.) and they
turn into quasiparticles of a new type—defectons, which are characterized not by their position in the crystal lattice but
by their quasimomentum and dispersion law. Defecton-defecton and defecton-phonon scattering are considered and an interpolation
formula for the diffusion coefficient valid in all interesting temperature and concentration regions is presented. A comparison
with the experimental data is made. Some alternative points of view are discussed in detail and the inconsistency of the Kisvarsanyi-Sullivan
theory is shown. 相似文献
10.
Zi‐Niu Wu 《国际流体数值方法杂志》2005,48(5):541-564
The widely used locally adaptive Cartesian grid methods involve a series of abruptly refined interfaces. In this paper we consider the influence of the refined interfaces on the steady state errors for second‐order three‐point difference approximations of flow equations. Since the various characteristic components of the Euler equations should behave similarly on such grids with regard to refinement‐induced errors, it is sufficient enough to conduct the analysis on a scalar model problem. The error we consider is a global error, different to local truncation error, and reflects the interaction between multiple interfaces. The steady state error will be compared to the errors on smooth refinement grids and on uniform grids. The conclusion seems to support the numerical findings of Yamaleev and Carpenter (J. Comput. Phys. 2002; 181: 280–316) that refinement does not necessarily reduce the numerical error. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献