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排序方式: 共有94条查询结果,搜索用时 18 毫秒
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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
3.
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
4.
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
5.
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
6.
Jouini Houda Mejri Imène Rhimi Baker Mhamdi Mourad Blasco Teresa Delahay Gérard 《Research on Chemical Intermediates》2021,47(7):2901-2915
Research on Chemical Intermediates - Fe–Cu–ZSM-5 and Ce–Fe–Cu–ZSM-5 solids prepared using solid-state ion exchange method (SSIE) were tested in the NH3–SCR of NO... 相似文献
7.
Alia Roy E Gast P van Gorkom HJ de Groot HJ Jeschke G Matysik J 《Journal of the American Chemical Society》2004,126(40):12819-12826
Photochemically induced dynamic nuclear polarization (photo-CIDNP) has been observed in photosystem I of spinach by (13)C magic angle spinning solid-state NMR under continuous illumination with white light. An almost complete set of chemical shifts of the aromatic ring carbons of a single Chl a molecule has been obtained which is assigned to the P2-cofactor of the primary electron donor P700. Since all light-induced (13)C NMR signals appear to be emissive, a predominance of the three-spin mixing mechanism over the differential decay mechanism is proposed. The origin of the strong contribution of the three-spin mixing mechanism and the differences with photosystem II are discussed. 相似文献
8.
We give the system of Laguerre–Freud equations associated with the D ω -semi-classical functionals of class one, where D ω is the divided difference operator. This system is solved in the symmetric case. There are essentially two canonical cases. The corresponding integral representations are given. 相似文献
9.
This work describes an approach for the development of two bacteria biosensors based on surface plasmon resonance (SPR) technique. The first biosensor was based on functionalized gold substrate and the second one on immobilized gold nanoparticles. For the first biosensor, the gold substrate was functionalized with acid-thiol using the self-assembled monolayer technique, while the second one was functionalized with gold nanoparticles immobilized on modified gold substrate. A polyclonal anti-Escherichia coli antibody was immobilized for specific (E. coli) and non-specific (Lactobacillus) bacteria detection. Detection limit with a good reproducibility of 104 and 103 cfu mL−1 of E. coli bacteria has been obtained for the first biosensor and for the second one respectively. A refractive index variation below 5 × 10−3 due to bacteria adsorption is able to be detected. The refractive index of the multilayer structure and of the E. coli bacteria layer was estimated with a modeling software. 相似文献
10.
Alia Hamieh 《manuscripta mathematica》2014,145(3-4):449-472
The purpose of this article is to generalize some results of Vatsal on the special values of Rankin–Selberg L-functions in an anticyclotomic \({\mathbb{Z}_{p}}\) -extension. Let g be a cuspidal Hilbert modular newform of parallel weight \({(2,\ldots,2)}\) and level \({\mathcal{N}}\) over a totally real field F, and let K/F be a totally imaginary quadratic extension of relative discriminant \({\mathcal{D}}\) . We study the l-adic valuation of the special values \({L(g,\chi,\frac{1}{2})}\) as \({\chi}\) varies over the ring class characters of K of \({\mathcal{P}}\) -power conductor, for some fixed prime ideal \({\mathcal{P}}\) . We prove our results under the only assumption that the prime to \({\mathcal{P}}\) part of \({\mathcal{N}}\) is relatively prime to \({\mathcal{D}}\) . 相似文献