全文获取类型
收费全文 | 223篇 |
免费 | 12篇 |
国内免费 | 1篇 |
专业分类
化学 | 165篇 |
晶体学 | 1篇 |
力学 | 5篇 |
数学 | 21篇 |
物理学 | 44篇 |
出版年
2023年 | 6篇 |
2022年 | 36篇 |
2021年 | 27篇 |
2020年 | 10篇 |
2019年 | 10篇 |
2018年 | 6篇 |
2017年 | 4篇 |
2016年 | 12篇 |
2015年 | 6篇 |
2014年 | 6篇 |
2013年 | 13篇 |
2012年 | 15篇 |
2011年 | 14篇 |
2010年 | 10篇 |
2009年 | 10篇 |
2008年 | 14篇 |
2007年 | 9篇 |
2006年 | 3篇 |
2005年 | 2篇 |
2004年 | 1篇 |
2003年 | 3篇 |
2000年 | 3篇 |
1999年 | 3篇 |
1997年 | 2篇 |
1996年 | 3篇 |
1995年 | 3篇 |
1992年 | 2篇 |
1991年 | 1篇 |
1981年 | 1篇 |
1980年 | 1篇 |
排序方式: 共有236条查询结果,搜索用时 15 毫秒
1.
2.
Abdulaziz S. Alidi 《Applied Mathematical Modelling》1992,16(12):645-651
The improper handling and disposal of hazardous wastes cause threats to human health and the environment. One reason for the improper handling and disposal of these wastes is that not much consideration is usually given to the logistical aspects of hazardous waste systems. In this paper an integer goal programming model is developed that takes into consideration the multiple goals and needs of many groups involved in managing and planning hazardous waste systems. The model can easily be implemented and can be used to address many of the issues related to facility location, recycling, treatment, and disposal of hazardous wastes. 相似文献
3.
Ab initio calculations using the MP2/cc-pVTZ basis set do an excellent job of predicting the inversion barrier (247 vs. 232 cm−1) and dihedral angle (26°) of cyclopentene. DFT calculations also do an excellent job of predicting the vibrational frequencies of the d0, d1, d4, and d8 isotopomers. They have also allowed the reassignments of several of the vibrational frequencies. 相似文献
4.
Mantel C Hassan AK Pécaut J Deronzier A Collomb MN Duboc-Toia C 《Journal of the American Chemical Society》2003,125(40):12337-12344
The isolation, structural characterization and electronic properties of three new six-coordinated Mn(III) complexes, [Mn(bpea)(F)(3)] (1), [Mn(bpea)(N(3))(3)] (2), and [Mn(terpy)(F)(3)] (3) are reported (bpea = N,N-bis(2-pyridylmethyl)-ethylamine; terpy = 2,2':6',2' '-terpyridine). As for [Mn(terpy)(N(3))(3)] (4) (previously described by Limburg J.; Vrettos J. S.; Crabtree R. H.; Brudvig G. W.; de Paula J. C.; Hassan A.; Barra A-L.; Duboc-Toia C.; Collomb M-N. Inorg. Chem. 2001, 40, 1698), all these complexes exhibit a Jahn-Teller distortion of the octahedron characteristic of high-spin Mn(III) (S = 2). The analysis of the crystallographic data shows an elongation along the tetragonal axis of the octahedron for complexes 1 and 3, while complex 2 presents an unexpected compression. The electronic properties were investigated using a high-field and high-frequency EPR study performed between 5 and 15 K (190-575 GHz). The spin Hamiltonian parameters determined in solid state are in agreement with the geometry of the complexes observed in the crystal structures. A negative D value found for 1 and 3 is related to the elongated tetragonal distortion, whereas the positive D value determined for 2 is in accordance with a compressed octahedron. The high E/D values, in the range of 0.103 to 0.230 for all complexes, are correlated with the highly distorted geometry present around the Mn(III) ion. HF-EPR experiments were also performed on complex 1 in solution and show that the D value is the only spin Hamiltonian parameter which is slightly modified compared to the solid state (D = -3.67 cm(-1) in solid state; D = -3.95 cm(-1) in solution). 相似文献
5.
A. Alia 《Acoustical Physics》2018,64(1):10-17
Several time-domain methods have been widely used to predict impulse response in acoustics. Despite its great potential, Discrete Huygens Method (DHM) has not been as widely used in the domain of ultrasonic diffraction as in other fields. In fact, little can be found in literature about the application of the DHM to diffraction phenomenon that can be described in terms of direct and edge waves, a concept suggested by Young since 1802. In this paper, a simple axisymmetric DHM-model has been used to simulate the transient ultrasonic field radiation of a baffled transducer and its diffraction by a target located on axis. The results are validated by impulse response based calculations. They indicate the capability of DHM to simulate diffraction occurring at transducer and target edges and to predict the complicated transient field in pulse mode. 相似文献
6.
Qamar Uddin Ahmed Abdul Hasib Mohd Ali Sayeed Mukhtar Meshari A. Alsharif Humaira Parveen Awis Sukarni Mohmad Sabere Mohamed Sufian Mohd. Nawi Alfi Khatib Mohammad Jamshed Siddiqui Abdulrashid Umar Alhassan Muhammad Alhassan 《Molecules (Basel, Switzerland)》2020,25(23)
In recent years, there is emerging evidence that isoflavonoids, either dietary or obtained from traditional medicinal plants, could play an important role as a supplementary drug in the management of type 2 diabetes mellitus (T2DM) due to their reported pronounced biological effects in relation to multiple metabolic factors associated with diabetes. Hence, in this regard, we have comprehensively reviewed the potential biological effects of isoflavonoids, particularly biochanin A, genistein, daidzein, glycitein, and formononetin on metabolic disorders and long-term complications induced by T2DM in order to understand whether they can be future candidates as a safe antidiabetic agent. Based on in-depth in vitro and in vivo studies evaluations, isoflavonoids have been found to activate gene expression through the stimulation of peroxisome proliferator-activated receptors (PPARs) (α, γ), modulate carbohydrate metabolism, regulate hyperglycemia, induce dyslipidemia, lessen insulin resistance, and modify adipocyte differentiation and tissue metabolism. Moreover, these natural compounds have also been found to attenuate oxidative stress through the oxidative signaling process and inflammatory mechanism. Hence, isoflavonoids have been envisioned to be able to prevent and slow down the progression of long-term diabetes complications including cardiovascular disease, nephropathy, neuropathy, and retinopathy. Further thoroughgoing investigations in human clinical studies are strongly recommended to obtain the optimum and specific dose and regimen required for supplementation with isoflavonoids and derivatives in diabetic patients. 相似文献
7.
8.
9.
Yi Chen Chan Abdussalam Salhin Mohamed Ali Melati Khairuddean Kooi Yeong Khaw Vikneswaran Murugaiyah Alireza Basiri 《中国化学快报》2013,24(7):609-612
Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone(L1-L4) have been synthesized and their Cu(Ⅱ) complexes(1-4) were afforded via coordination with cupric chloride.All these compounds were characterized by UV-vis and IR spectroscopy together with CHN elemental analysis.NMR spectroscopy was also applied to characterize the ligands.In vitro chohnesterase inhibitory assays for the complexes(1-4) showed IC50 values less than 10μmol/L,with complex 1 exhibiting the most activity,IC50=2.15μmol/L and 2.16μmol/L for AChE and BuChE,respectively. Molecular modeling simulation revealed the binding interaction template for complex 1 with the AChE and BuChE receptors.In DPPH assay,the complexes also showed more in vitro antioxidant activities in comparison to their parent ligands. 相似文献
10.
Hristo Rasheev Prof. Dr. Radostina Stoyanova Prof. Dr. Alia Tadjer 《Chemphyschem》2021,22(11):1110-1123
The construction of hybrid metal-ion batteries faces a plethora of challenges. A critical one is to unveil the solvation/desolvation processes at the molecular level in electrolytes that ensure efficient transfer of several types of charge carriers. This study reports first results on simulations of mixed-ion electrolytes. All combinations of homo- and hetero-binuclear complexes of Li+, Na+ and Mg2+, solvated with varying number of ethylene carbonate (EC) molecules are modeled in non-polar and polar environment by means of first principles calculations and compared to the mononuclear analogues in terms of stability, spatial organization, charge distribution and solvation/desolvation behavior. The used PF6− counterion is shown to have minor impact on the geometry of the complexes. The desolvation energy penalty of binuclear complexes can be lowered by the fluoride ions, emerging upon the PF6− decay. These model investigations could be extended to rationalize the solvation structure and ionic mobility in dual-ion electrolytes. 相似文献