全文获取类型
收费全文 | 9194篇 |
免费 | 1423篇 |
国内免费 | 1420篇 |
专业分类
化学 | 10162篇 |
晶体学 | 341篇 |
力学 | 58篇 |
综合类 | 43篇 |
数学 | 12篇 |
物理学 | 1421篇 |
出版年
2024年 | 33篇 |
2023年 | 147篇 |
2022年 | 317篇 |
2021年 | 367篇 |
2020年 | 533篇 |
2019年 | 411篇 |
2018年 | 357篇 |
2017年 | 334篇 |
2016年 | 523篇 |
2015年 | 550篇 |
2014年 | 565篇 |
2013年 | 944篇 |
2012年 | 580篇 |
2011年 | 494篇 |
2010年 | 468篇 |
2009年 | 519篇 |
2008年 | 552篇 |
2007年 | 615篇 |
2006年 | 550篇 |
2005年 | 540篇 |
2004年 | 478篇 |
2003年 | 397篇 |
2002年 | 256篇 |
2001年 | 189篇 |
2000年 | 196篇 |
1999年 | 160篇 |
1998年 | 147篇 |
1997年 | 136篇 |
1996年 | 137篇 |
1995年 | 126篇 |
1994年 | 71篇 |
1993年 | 61篇 |
1992年 | 53篇 |
1991年 | 25篇 |
1990年 | 25篇 |
1989年 | 20篇 |
1988年 | 24篇 |
1987年 | 24篇 |
1986年 | 19篇 |
1985年 | 21篇 |
1984年 | 10篇 |
1983年 | 5篇 |
1982年 | 7篇 |
1981年 | 5篇 |
1980年 | 5篇 |
1977年 | 7篇 |
1976年 | 6篇 |
1975年 | 7篇 |
1974年 | 6篇 |
1973年 | 11篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
81.
In this article we study the effect of energetic heterogeneity of a crystalline surface on the adsorption of hydrogen ions (protons) from the liquid phase. In particular, we examine the influence of the shape of the adsorption energy distribution on the equilibrium isotherms of hydrogen ions. To that purpose, a few popular distribution functions, including rectangular, exponential, and asymmetric Gaussian are considered. Additionally, multimodal distribution functions, which may correspond to the adsorption on different crystal planes of the oxide, are also used. Lateral interactions between adsorbed charges are modeled using the potential function proposed by Borkovec et al., which accounts also for polarization of the liquid medium. The results presented here are obtained using both Monte Carlo (MC) simulations and theoretical calculations involving Mean Field Approximation (MFA). They indicate that increased energetic heterogeneity of the adsorbing surface may, in general, considerably change the behavior of the adsorption isotherms, regardless of the assumed distribution function. It is also shown that the predictions of the proposed theory are consistent with the data obtained from the MC simulations. 相似文献
82.
83.
We present a theoretical study of dissociative photoionization of H2 via the 1Πu symmetry in the photon energy range 30–43 eV. Our results explain the various peaks observed in the experiments below 40 eV and illustrate, in particular, the important role of the 2Πu(2pπu) ionization threshold. At higher photon energies, they suggest the existence of new resonance structures that may be associated with doubly excited states of H2 lying above the third and fourth ionization thresholds (the Q3 and Q4 resonance series). From the calculated resonance parameters, we conclude that the dominant mechanism at high photon energies should involve the Q4 (and probably higher) doubly excited states of H2. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2002 相似文献
84.
Hiroyuki Asanuma Sumie Gotoh Takeshi Ban Makoto Komiyama 《Journal of inclusion phenomena and macrocyclic chemistry》1997,27(3):259-264
Poly(2-vinyl-4,6-diamino-1,3,5-triazine) efficiently binds nucleic acid bases and nucleosides in water by using complementary hydrogen bonding. The binding activity decreases in the order: U, T > A C, G. The corresponding monomer shows virtually no activity, indicating a predominant role of polymer effect for the molecular recognition in water. 相似文献
85.
In this work, the complexes formed between formamide and water were studied by means of the SAPT and AIM methods. Complexation leads to significant alterations in the geometries and electronic structure of formamide. Intermolecular interactions in the complexes are intense, especially in the cases where the solvent interacts with the carbonyl and amide groups simultaneously. In the transition states, the interaction between the water molecule and the lone pair on the amide nitrogen is also important. In all the complexes studied herein, the electrostatic interactions between formamide and water are the main attractive force, and their contribution may be five times as large as the corresponding contribution from dispersion, and twice as large as the contribution from induction. However, an increase in the resonance of planar formamide with the successive addition of water molecules may suggest that the hydrogen bonds taking place between formamide and water have some covalent character. 相似文献
86.
Koichi Tanaka Hideyuki Takano Zofia Urbanczyk-lipkowska 《Journal of inclusion phenomena and macrocyclic chemistry》2006,56(3-4):281-285
The host compounds 1,1’-binaphthyl-2,2′-dihydroxy-5,5′-dicarboxylic acid (1) and 1,1′-binaphthyl-2,2′-dihydroxy-6,6′-dicarboxylic acid (2) have been synthesized, and their inclusion properties have been studied. Inclusion complexes formed by 1 and 2 with volatile guests such as acetone and methanol release the guests only at much higher temperatures than their boiling
points. The crystal structures of the inclusion complexes have been determined from single crystal X-ray diffraction data
and show different host lattices. 相似文献
87.
Alkanes (cyclohexane, hexane, heptane isomers) are effectively oxidized in CH3CN at 20–70°C by hydrogen peroxide when catalyzed by a Bu4NVO3-pyrazine-2-carboxylic acid system. Alkyl hydroperoxide is the main product; an alcohol and a ketone or an aldehyde are also formed. Under these conditions benzene is oxidized to give phenol, while alkyl benzenes yield oxygenation products both of the ring and the side chain. It has been assumed that the interaction of H2O2 with VO3
– gives rise to generation of HO radicals and other radical-like vanadium containing species that abstract a hydrogen atom from an alkane, RH. The radical R. formed reacts with O2 to produce ROO. which is then transformed to alkyl hydroperoxide.Presented at the VIII International Symposium on Homogeneous Catalysis (Amsterdam, 1992).Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 1, pp. 64–68, January, 1993. 相似文献
88.
Vladislav?Tomi?i?Email author Vjekoslav?Butorac Jadranka?Viher Vladimir?Simeon 《Journal of solution chemistry》2005,34(6):613-616
The effect of temperature on the π∗←π transition band in the UV absorption spectrum of NO3−(aq) centered at ≈200 nm was studied in the temperature range 10–70 ∘C. The observed temperature independence of this band was in contrast to the significant influence of temperature on the nitrate π∗←n transition reported recently by us. However, taking into account the electronic states involved in both the transitions, it was concluded that this finding was in accordance with our previous assumption that interconversion between spectrally distinct (with respect to π∗←n band) nitrate species included the rupture/formation of hydrogen bond(s) in the hydration shell of the nitrate ion. 相似文献
89.
Syed A. Ali Mohammed A. Siddiqui and Mohammed A. Ali 《Reaction Kinetics and Catalysis Letters》2005,87(1):199-206
Summary A parametric study of catalytic reforming process in a pilot plant was carried out by varying the pressure, H2/HC ratio, and space velocity. The results show that lower aromatics and higher hydrogen yields can be accomplished by increasing
the space velocity in existing reformers, which will also result in better C5+yield. 相似文献
90.