全文获取类型
收费全文 | 908篇 |
免费 | 48篇 |
国内免费 | 9篇 |
专业分类
化学 | 586篇 |
晶体学 | 3篇 |
力学 | 15篇 |
数学 | 173篇 |
物理学 | 188篇 |
出版年
2023年 | 11篇 |
2022年 | 11篇 |
2021年 | 39篇 |
2020年 | 24篇 |
2019年 | 42篇 |
2018年 | 40篇 |
2017年 | 20篇 |
2016年 | 43篇 |
2015年 | 30篇 |
2014年 | 31篇 |
2013年 | 51篇 |
2012年 | 63篇 |
2011年 | 72篇 |
2010年 | 41篇 |
2009年 | 31篇 |
2008年 | 61篇 |
2007年 | 71篇 |
2006年 | 60篇 |
2005年 | 53篇 |
2004年 | 43篇 |
2003年 | 32篇 |
2002年 | 21篇 |
2001年 | 11篇 |
2000年 | 5篇 |
1999年 | 11篇 |
1998年 | 5篇 |
1997年 | 4篇 |
1996年 | 4篇 |
1995年 | 8篇 |
1994年 | 4篇 |
1993年 | 3篇 |
1992年 | 3篇 |
1991年 | 1篇 |
1989年 | 2篇 |
1988年 | 2篇 |
1987年 | 1篇 |
1986年 | 1篇 |
1985年 | 2篇 |
1984年 | 1篇 |
1981年 | 1篇 |
1979年 | 3篇 |
1978年 | 1篇 |
1975年 | 1篇 |
1973年 | 1篇 |
排序方式: 共有965条查询结果,搜索用时 15 毫秒
21.
Structural Chemistry - A brief account of Soviet magnetic resonance (MR) scientific instrumentation in the 1970s–1980s is given. The impact of Erlen Ilyich Fedin (1926–2009), the head... 相似文献
22.
Aleksandr I. Chumakov Ilya Sergeev Jean‐Philippe Celse Rudolf Rüffer Marc Lesourd Lin Zhang Manuel Sánchez del Río 《Journal of synchrotron radiation》2014,21(2):315-324
The performance of a cryogenically cooled double‐crystal silicon monochromator was studied under high‐heat‐load conditions with total absorbed powers and power densities ranging from 8 to 780 W and from 8 to 240 W mm?2, respectively. When the temperature of the first crystal is maintained close to the temperature of zero thermal expansion of silicon, the monochromator shows nearly ideal performance with a thermal slope error of 0.6 µrad. By tuning the size of the first slit, the regime of the ideal performance can be maintained over a wide range of heat loads, i.e. from power densities of 110 W mm?2 (at total absorbed power of 510 W) to 240 W mm?2 (at total absorbed power of 240 W). 相似文献
23.
24.
25.
Margarita Yu. Vozhdaeva Alfiya R. Kholova Igor A. Melnitskiy Ilya I. Beloliptsev Yulia S. Vozhdaeva Evgeniy A. Kantor Albert T. Lebedev 《Molecules (Basel, Switzerland)》2021,26(7)
The main drawback of drinking water chlorination involves the formation of quite hazardous disinfection by-products (DBPs), represented mainly by halogenated species. Based on the authors’ monitoring data since 2002, the prevalence of chlorine over bromine in the composition of volatile DBPs was shown for the drinking water in Ufa (Russia). However, the situation was completely reversed in the case of semi-volatile DBPs. The principal goal of the present study involved rationalization of the results of the long-term monitoring. Gas chromatography–mass spectrometry (GC-MS) was used for the qualitative and quantitative analysis of volatile DBPs. Identification of semi-volatile compounds was carried out with GC-MS, while gas chromatography with an atomic emission detector (GC-AED) was used for their quantification. A significant contribution of oxygen to the composition of semi-volatile compounds proves the decisive role of the dissolved organic matter oxidative destructive processes. Statistical analysis revealed notable linear correlations for trihalomethane and haloacetic acid formation vs. chlorine dose. On the contrary, halogenated semi-volatile products do not demonstrate any correlations with the water quality parameters or chlorine dose. Principal component analysis (PCA) placed them into separate groups. The results allow for proposing that formation of the organohalogenated species involved the fast penetration of bromine into the humic matter molecules and, further, their oxidative destruction by active chlorine. 相似文献
26.
27.
28.
29.
Ilya G. Ryabinkin Viktor N. Staroverov 《International journal of quantum chemistry》2013,113(11):1626-1632
The differential virial theorem (DVT) is an explicit relation between the electron density ρ( r ), the external potential, kinetic energy density tensor, and (for interacting electrons) the pair function. The time‐dependent generalization of this relation also involves the paramagnetic current density. We present a detailed unified derivation of all known variants of the DVT starting from a modified equation of motion for the current density. To emphasize the practical significance of the theorem for noninteracting electrons, we cast it in a form best suited for recovering the Kohn–Sham effective potential vs( r ) from a given electron density. The resulting expression contains only ρ( r ), vs( r ), kinetic energy density, and a new orbital‐dependent ingredient containing only occupied Kohn–Sham orbitals. Other possible applications of the theorem are also briefly discussed. © 2012 Wiley Periodicals, Inc. 相似文献
30.
Nataliya A. Samoylova Nikita M. Belov Victor A. Brotsman Dr. Ilya N. Ioffe Dr. Natalia S. Lukonina Dr. Vitaliy Yu. Markov Dr. Adrian Ruff Alexey V. Rybalchenko Paul Schuler Olesya O. Semivrazhskaya Prof. Dr. Bernd Speiser Prof. Dr. Sergey I. Troyanov Prof. Dr. Tatiana V. Magdesieva Dr. Alexey A. Goryunkov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(52):17969-17979
Novel difluoromethylenated [70]fullerene derivatives, C70(CF2)n (n=1–3), were obtained by the reaction of C70 with sodium difluorochloroacetate. Two major products, isomeric C70(CF2) mono‐adducts with [6,6]‐open and [6,6]‐closed configurations, were isolated and their homofullerene and methanofullerene structures were reliably determined by a variety of methods that included X‐ray analysis and high‐level spectroscopic techniques. The [6,6]‐open isomer of C70(CF2) constitutes the first homofullerene example of a non‐hetero [70]fullerene derivative in which functionalisation involves the most reactive bond in the polar region of the cage. Voltammetric estimation of the electron affinity of the C70(CF2) isomers showed that it is substantially higher for the [6,6]‐open isomer (the 70‐electron π‐conjugated system is retained) than the [6,6]‐closed form, the latter being similar to the electron affinity of pristine C70. In situ ESR spectroelectrochemical investigation of the C70(CF2) radical anions and DFT calculations of the hyperfine coupling constants provide evidence for the first example of an inter‐conversion between the [6,6]‐closed and [6,6]‐open forms of a cage‐modified fullerene driven by an electrochemical one‐electron transfer. Thus, [6,6]‐closed C70(CF2) constitutes an interesting example of a redox‐switchable fullerene derivative. 相似文献