全文获取类型
收费全文 | 12508篇 |
免费 | 2710篇 |
国内免费 | 1278篇 |
专业分类
化学 | 2689篇 |
晶体学 | 170篇 |
力学 | 1323篇 |
综合类 | 152篇 |
数学 | 2244篇 |
物理学 | 9918篇 |
出版年
2024年 | 22篇 |
2023年 | 150篇 |
2022年 | 290篇 |
2021年 | 343篇 |
2020年 | 398篇 |
2019年 | 323篇 |
2018年 | 332篇 |
2017年 | 430篇 |
2016年 | 512篇 |
2015年 | 476篇 |
2014年 | 724篇 |
2013年 | 976篇 |
2012年 | 801篇 |
2011年 | 876篇 |
2010年 | 819篇 |
2009年 | 837篇 |
2008年 | 836篇 |
2007年 | 778篇 |
2006年 | 786篇 |
2005年 | 711篇 |
2004年 | 724篇 |
2003年 | 608篇 |
2002年 | 551篇 |
2001年 | 451篇 |
2000年 | 440篇 |
1999年 | 375篇 |
1998年 | 322篇 |
1997年 | 259篇 |
1996年 | 233篇 |
1995年 | 158篇 |
1994年 | 144篇 |
1993年 | 111篇 |
1992年 | 93篇 |
1991年 | 81篇 |
1990年 | 77篇 |
1989年 | 86篇 |
1988年 | 60篇 |
1987年 | 46篇 |
1986年 | 55篇 |
1985年 | 38篇 |
1984年 | 28篇 |
1983年 | 13篇 |
1982年 | 23篇 |
1981年 | 20篇 |
1980年 | 17篇 |
1979年 | 12篇 |
1978年 | 13篇 |
1977年 | 8篇 |
1976年 | 7篇 |
1957年 | 4篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
111.
B. Prathab T. M. Aminabhavi R. Parthasarathi V. Subramanian 《Theoretical chemistry accounts》2007,117(1):167-169
Molecular dynamics simulations have been carried out on different perfluoroalkyl methacrylates to predict their densities. Density calculations on selected perfluoroalkyl methacrylates have been performed using molecular dynamics in the NPT ensemble by employing COMPASS force field. The calculated density values compared quite well with the experimental data reported in the literature. 相似文献
112.
稳态双曲流场中液/液混合的粘性液滴哑铃分散模型 总被引:1,自引:0,他引:1
通过对稳态双曲流场中液/液混合体系分散相液滴所受分散作用力的分析,建立了粘性液滴的哑铃分散模型.趋于将两粘性液滴分开的分散作用力与粘度比、流场类型和强度、液滴半径、哑铃取向和尺寸有关.该模型解释了流场类型与分散作用的关系.流场类型对液滴的分散具有很大影响,在纯应变拉伸流场中分散作用力是简单剪切流场中的两倍,因而对于液滴的分散,拉伸流场较简单剪切流场更有效,这与以前的实验结论符合.当体系粘度比趋于无穷大时本模型转化为刚性哑铃分散模型 相似文献
113.
Andrzej Czopnik Nataly Shitsevalova Alexander Krivchikov Vasyl Pluzhnikov Yuriy Paderno 《Journal of solid state chemistry》2004,177(2):507-514
We have measured heat capacity and thermal expansion of rare earth dodecaborides REB12 (RE=Y, Tb-Tm, Lu). YB12 and LuB12 are diamagnetics whereas the other dodecaborides are ordered antiferromagnetically. The amplitude of the heat capacity discontinuity at the Néel temperature and the shape of the heat capacity variation in the critical region for all these antiferromagnetics are characteristics for amplitude-modulated magnetic structures. In the ordered state TbB12 reveals two first-order phase transitions, most likely due to magnetic structure changes. The heat capacity of ErB12 just below the Néel point shows an anomaly of unclear origin. From the Schottky contribution to the heat capacity we have determined crystal field parameters. They are completely different than that is estimated from Point Charge Model. 相似文献
114.
Paul Caylor McKinney 《Journal of mathematical chemistry》2002,32(4):381-404
The solution of a generalized non-relativistic Schrödinger equation with radial potential energy V(r)=V
0(r/a
0)2–2 is presented. After reviewing the general properties of the radial ordinary differential equation, power series solutions are developed. The Green's function is constructed, its trace and the trace of its first iteration are calculated, and the ability of the traces to provide upper and lower bounds for the ground eigenvalue is examined. In addition, WKB-like solutions for the eigenvalues and eigenfunctions are derived. The approximation method yields valid eigenvalues for large quantum numbers (Rydberg states). 相似文献
115.
116.
离子敏感场效应晶体管具有若干不同于寻常传感器的特点:超小型、全固态、集成化和自身阻抗变换等。它是一种很有发展前途的传感器。本文了讨论了离子敏感场效应晶体管的分类、结构和性能;评述了1989年以来其在临床医学和流动注射分析等方面的应用。引参考文献67篇。 相似文献
117.
A. A. El-Asmy 《中国化学会会志》1988,35(1):29-34
The preparation and characterization of a series of new coordination compounds of Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) containing o-methyl- or o-chlorobenzoyl-4-phenyl-3-thiosemicarbazide (HMBPT, HCBPT=HL) are reported. The reaction products were investigated by analyses, electrolytic conductance, magnetic susceptibility, reflectance and IR spectral studies. The IR spectra show that HMBPT and HCBPT coordinate with the metal ions via different coordination sites (NS and/or NO). The spectral data support the suggestion that the ligands form his-chelates with Ni(II) and Cu(II) of square planar stereochemistry and of general formulae ML2·H2O, where L is the uninegatively charged bidentate ligand. The Co(II) ion forms octahedral and tetrahedral structures with HMBPT and HCBPT, respectively. The ligand field parameters (D4, B and β) for the Co(II) chelates were calculated using the averaged-ligand-field approximation. The influence of the benzene ring substituents (o-chloro or o-methyl) on the stereochemistry are discussed. Also, the formation of the complexes in solution was tested by the pH-metric method. 相似文献
118.
Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides 总被引:1,自引:0,他引:1
The parameters for the OPLS-AA potential energy function have been extended to include some functional groups that are present in macrocyclic polyketides. Existing OPLS-AA torsional parameters for alkanes, alcohols, ethers, hemiacetals, esters, and ketoamides were improved based on MP2/aug-cc-pVTZ and MP2/aug-cc-pVDZ calculations. Nonbonded parameters for the sp(3) carbon and oxygen atoms were refined using Monte Carlo simulations of bulk liquids. The resulting force field predicts conformer energies and torsional barriers of alkanes, alcohols, ethers, and hemiacetals with an overall RMS deviation of 0.40 kcal/mol as compared to reference data. Densities of 19 bulk liquids are predicted with an average error of 1.1%, and heats of vaporization are reproduced within 2.4% of experimental values. The force field was used to perform conformational analysis of smaller analogs of the macrocyclic polyketide drug FK506. Structures that adopted low-energy conformations similar to that of bound FK506 were identified. The results show that a linker of four ketide units constitutes the shortest effector domain that allows binding of the ketide drugs to FKBP proteins. It is proposed that the exact chemical makeup of the effector domain has little influence on the conformational preference of tetraketides. 相似文献
119.
In the process of bulk photopolymerization of styrene initiated by AIBN decomposition polyvinyl benzophenone (PVB) can supply an effective cage for triplet-triplet energy transfer between PVB macromolecules and small molecules of AIBN to influence the molecular weight of polystyrene in weak magnetic field (less than 0.035T), that was different from the case of polyvinyl naphthalene (PVN) which supplied cages for this system only in the stronger magnetic field (more than 0.2 T) studies. It was found that in the same conditions, PVN could exert more tremendous influences on the bulk photopolymerizatiou system of styrene than PVB because in the stronger magnetic field the triplet PVN had much longer life time than PVB. 相似文献
120.
《Electroanalysis》2004,16(22):1837-1842
Electronic sensor technology remains of widespread and intense interest. There are compelling needs to detect chemical species ranging from small molecules dispersed in the gas phase to complex biopolymers in aqueous solution. This review describes some recent advances in three main areas: chemically sensitive resistors (chemiresistors, CRs) including inorganic and organic based devices, field effect transistors (FETs) with semiconducting layers and/or gates with chemical sensitivity, and sensors based on the differential conductivity of nanotubes and nanowires. Results reported in the last two to three years are emphasized, highlighting some current trends in the development of sensors for applications such as diagnostics, process monitoring, and security. 相似文献