全文获取类型
收费全文 | 816篇 |
免费 | 40篇 |
国内免费 | 14篇 |
专业分类
化学 | 624篇 |
晶体学 | 6篇 |
力学 | 10篇 |
数学 | 112篇 |
物理学 | 118篇 |
出版年
2023年 | 4篇 |
2022年 | 13篇 |
2021年 | 18篇 |
2020年 | 19篇 |
2019年 | 43篇 |
2018年 | 45篇 |
2017年 | 30篇 |
2016年 | 42篇 |
2015年 | 39篇 |
2014年 | 35篇 |
2013年 | 101篇 |
2012年 | 50篇 |
2011年 | 67篇 |
2010年 | 38篇 |
2009年 | 39篇 |
2008年 | 32篇 |
2007年 | 21篇 |
2006年 | 15篇 |
2005年 | 19篇 |
2004年 | 25篇 |
2003年 | 6篇 |
2002年 | 14篇 |
2001年 | 7篇 |
2000年 | 6篇 |
1999年 | 10篇 |
1998年 | 4篇 |
1997年 | 4篇 |
1996年 | 10篇 |
1995年 | 24篇 |
1994年 | 14篇 |
1993年 | 5篇 |
1991年 | 4篇 |
1990年 | 5篇 |
1989年 | 2篇 |
1988年 | 5篇 |
1987年 | 2篇 |
1986年 | 3篇 |
1985年 | 2篇 |
1984年 | 7篇 |
1983年 | 4篇 |
1982年 | 4篇 |
1981年 | 3篇 |
1977年 | 4篇 |
1976年 | 5篇 |
1966年 | 2篇 |
1960年 | 1篇 |
1959年 | 1篇 |
1957年 | 5篇 |
1956年 | 3篇 |
1953年 | 1篇 |
排序方式: 共有870条查询结果,搜索用时 125 毫秒
91.
Martin AD Boulos RA Hubble LJ Hartlieb KJ Raston CL 《Chemical communications (Cambridge, England)》2011,47(26):7353-7355
p-Phosphonic acid calix[5]arene forms molecular capsules in water based on two of the molecules, which can be loaded with carboplatin using intense shearing, and attached to single wall carbon nano-tubes. Spin coating of the capsules onto a substrate affords 2 nm fibres of stacked calixarenes, with the self-assembly understood using molecular modelling. 相似文献
92.
A new series of 1,3-thiazole and benzo[d]thiazole derivatives 10-15 has been developed, characterized, and evaluated for in vitro antimicrobial activity at concentrations of 25-200 μg/mL against Gram+ve organisms such as methicillin-resistant Staphylococcus aureus (MRSA), Gram-ve organisms such as Escherichia coli (E. coli), and the fungal strain Aspergillus niger (A. niger) by the cup plate method. Ofloxacin and ketoconazole (10 μg/mL) were used as reference standards for antibacterial and antifungal activity, respectively. Compounds 11 and 12 showed notable antibacterial and antifungal activities at higher concentrations (125-200 μg/mL), whereas benzo[d]thiazole derivatives 13 and 14 were found to display significant antibacterial or antifungal activity (50-75 μg/mL) against the Gram+ve, Gram-ve bacteria, or fungal cells used in the present study. In addition, a correlation between calculated and determined partition coefficient (log P) was established which allows future development of compounds within this series to be carried out based on calculated log P values. Moreover, compounds 13 and 14 show that the optimum logarithm of partition coefficient (log P) should be around 4. 相似文献
93.
94.
Archiv der Mathematik - Let R denote a commutative Noetherian ring, $$\mathfrak {a}$$ an ideal of R, and M an $$\mathfrak {a}$$ -cofinite R-module. The purpose of this article is to show that for a... 相似文献
95.
Seyedeh Leila Hashemi Dashtaki 《Molecular physics》2013,111(14):2195-2203
ABSTRACTRate constants for the reactions of C2H6, C2H5D and C2D6 with .CCl3. for the production of CHCl3 and CDCl3 (k1, k2, k3 and k4) were computed using variational transition state theory coupled with hybrid-meta density functional theory (MPWB1K) over the temperature range of 200–2900 K. The ground-state vibrational adiabatic potential was plotted for all channels. Small- and large-curvature tunnelling were determined to include quantum effects in the calculation of rate constants. Harmonic vibrational frequencies along the reaction path were calculated in curvilinear coordinates with scaled frequencies. Anharmonicity was included in the lowest-frequency torsion. The position of formation and dissociation of bonds was specified using the variation in harmonic vibrational frequencies along the reaction path. Representative tunnelling energy and the thermally averaged transmission probability at 298 K (P(E)exp?( ? ΔE/RT)) were determined for the reactions in which tunnelling is important. The kinetic isotope effect was used to calculate the considerable contributions of tunnelling and vibration. The expressions for rate constants were determined using nonlinear least-square fitting over the temperature range of 200–2900 K. 相似文献
96.
Héla Habli Leila Mejrissi Houcine Ghalla Saud Jamil Yaghmour Brahim Oujia Florent Xavier Gadéa 《Molecular physics》2013,111(10):1568-1582
A wide adiabatic study has been performed for numerous electronic states of CaLi+ molecular ion. The adiabatic potential energy curves and their spectroscopic constants (Re, De, ωe and Te) have been calculated using an ab initio approach including a nonempirical pseudo-potential for the Ca and Li cores with the core polarisation potentials operator through full configuration interaction (FCI). Thereafter, the energies of vibrational levels and their spacing for all these states have been reported. In addition, the electric dipole moment curves have been investigated for the (1-19) Σ, (1-12) Π and (1-8) Δ electric states. Moreover it lets us check the extreme transition dipole moments (TDM). These behaviours of TDM are more accustomed to estimate the radiative lifetimes for all vibrational levels in 21Σ+ and 31Σ+ states. Also, the bound-bound and the bound-free contribution have been calculated precisely and by employing a Franck–Condon (FC) approximation. 相似文献
97.
FFT-based convolution is proposed to numerical solve Fresnel–Kirchhoff integral in Fresnel regime carefully and in a very shorter time in comparison to direct solving convolution. To show its capability, the algorithm was implemented to evaluate amplitude of a diffracted plane wave at the focal plane of photon sieves with different focal lengths. The calculated amplitudes are completely the same calculated via convolving operation but has advantageous of taking very very shorter time. The calculation was also repeated using single-FFT algorithm that produce same result for all ranges either below or upper the sampling criteria and different results in comparison to the other two methods. 相似文献
98.
99.
Abd el Sadek el Meligy Mahmoud Ahmed el Sherbini 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》1959,10(5):474-477
Zusammenfassung Die Absorptionsbanden der Alkalihalogenidkristalle werden auf Elektronen zurückgeführt, die an leeren Gitterstellen eingefangen sind. Als Feld wird ein bei kleinen Distanzen horizontal abgeschnittenes Coulomb-Feld angesetzt. Die Eigenwerte werden im ganzen Energiebereich aus einer genauen Reihenentwicklung der Lösungen der Schrödinger-Gleichung bestimmt. 相似文献
100.