全文获取类型
收费全文 | 298篇 |
免费 | 10篇 |
国内免费 | 8篇 |
专业分类
化学 | 246篇 |
晶体学 | 1篇 |
力学 | 7篇 |
数学 | 9篇 |
物理学 | 31篇 |
无线电 | 22篇 |
出版年
2023年 | 6篇 |
2022年 | 8篇 |
2021年 | 15篇 |
2020年 | 32篇 |
2019年 | 16篇 |
2018年 | 25篇 |
2017年 | 17篇 |
2016年 | 17篇 |
2015年 | 15篇 |
2014年 | 18篇 |
2013年 | 26篇 |
2012年 | 10篇 |
2011年 | 18篇 |
2010年 | 17篇 |
2009年 | 11篇 |
2008年 | 10篇 |
2007年 | 13篇 |
2006年 | 13篇 |
2005年 | 8篇 |
2004年 | 5篇 |
2003年 | 1篇 |
2000年 | 1篇 |
1996年 | 1篇 |
1987年 | 1篇 |
1985年 | 1篇 |
1980年 | 2篇 |
1979年 | 2篇 |
1978年 | 5篇 |
1977年 | 2篇 |
排序方式: 共有316条查询结果,搜索用时 218 毫秒
91.
As a result of this study, a new and simple method was proposed for the fabrication of an ultra sensitive, robust and reversible ammonia gas sensor. The sensing mechanism was based upon the change in electrical resistance of a graphene aerogel as a result of sensor exposing to ammonia. Three-dimensional graphene hydrogel was first synthesized via hydrothermal method in the absence or presence of various amounts of thiourea. The obtained material was heated to obtain aerogel and then it was used as ammonia gas sensor. The materials obtained were characterized using different techniques such as Fourier transform infra red spectroscopy (FT-IR), thermal gravimetric analysis (TGA), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The thiourea-treated graphene aerogel was more porous (389 m2 g−1) and thermally unstable and exhibited higher sensitivity, shorter response time and better selectivity toward ammonia gas, compared to the aerogel produced in the absence of thiourea. Thiourea amount, involved in the hydrogel synthesis step, was found to be highly effective factor in the sensing properties of finally obtained aerogel. The sensor response time to ammonia was short (100 s) and completely reversible (recovery time of about 500 s) in ambient temperature. The sensor response to ammonia was linear between 0.02 and 85 ppm and its detection limit was found to be 10 ppb (3S/N). 相似文献
92.
93.
We introduce a representative database of 22 α,β- to β,γ-enecarbonyl isomerisation energies (to be known as the EIE22 data-set). Accurate reaction energies are obtained at the complete basis-set limit CCSD(T) level by means of the high-level W1-F12 thermochemical protocol. The isomerisation reactions involve a migration of one double bond that breaks the conjugated π-system. The considered enecarbonyls involve a range of common functional groups (e.g., Me, NH2, OMe, F, and CN). Apart from π-conjugation effects, the chemical environments are largely conserved on the two sides of the reactions and therefore the EIE22 data-set allows us to assess the performance of a variety of density functional theory (DFT) procedures for the calculation of π-conjugation stabilisation energies in enecarbonyls. We find that, with few exceptions (M05-2X, M06-2X, BMK, and BH&;HLYP), all the conventional DFT procedures attain root mean square deviations (RMSDs) between 5.0 and 11.7 kJ mol?1. The range-separated and double-hybrid DFT procedures, on the other hand, show good performance with RMSDs below the ‘chemical accuracy’ threshold. We also examine the performance of composite and standard ab initio procedures. Of these, SCS-MP2 offers the best performance-to-computational cost ratio with an RMSD of 0.8 kJ mol?1. 相似文献
94.
The (Z)-4-(phenylamino) pent-3-en-2-one (PAPO) was synthesised applying carbon-based solid acid and described by experimental techniques. Calculated results reveal that its keto-amine form is more stable than its enol-imine form. A relaxed potential energy surface scan has been accomplished based on the optimised geometry of NH tautomeric form to depict the potential energy barrier related to intramolecular proton transfer. The spectroscopic results and theoretical calculations demonstrate that the intramolecular hydrogen bonding strength of PAPO is stronger than that in 4-amino-3-penten-2-one)APO(. In addition, molecular electrostatic potential, total and partial density of stats (TDOS, PDOS) and non-linear optical properties of the compound were studied using same theoretical calculations. Our calculations show that the title molecule has the potential to be used as molecular switch. 相似文献
95.
Dr. Ru-Jin Li Dr. Farzaneh Fadaei-Tirani Dr. Rosario Scopelliti Prof. Kay Severin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(36):9439-9445
Spherical assemblies of the type [PdnL2n]2n+ can be obtained from PdII salts and curved N-donor ligands, L. It is well established that the bent angle, α, of the ligand is a decisive factor in the self-assembly process, with larger angles leading to complexes with a higher nuclearity, n. Herein, we report heteroleptic coordination cages of the type [PdnLnL′n]2n+, for which a similar correlation between the ligand bent angle and the nuclearity is observed. Tetranuclear cages were obtained by combining [Pd(CH3CN)4](BF4)2 with 1,3-di(pyridin-3-yl)benzene and ligands featuring a bent angle of α=120°. The use of a dipyridyl ligand with α=149° led to the formation of a hexanuclear complex with a trigonal prismatic geometry; for linear ligands, octanuclear assemblies of the type [Pd8L8L′8]16+ were obtained. The predictable formation of heteroleptic PdII cages from 1,3-di(pyridin-3-yl)benzene and different dipyridyl ligands is evidence that there are entire classes of heteroleptic cage structures that are privileged from a thermodynamic point of view. 相似文献
96.
Farzaneh Kazemipour Vona Méléder 《Journal of Quantitative Spectroscopy & Radiative Transfer》2011,112(1):131-142
Microphytobenthos Optical Model (MPBOM) provides the optical properties, absorption coefficient and refractive index, of a laboratory simulated microphytobenthic biofilm using the reflectance measurements derived from HySpex laboratory images, with the final aim of estimating photosynthetically active biomass. The high correlation between this biomass, expressed in chlorophyll a (mg Chl a m−2) and the absorption coefficient at the corresponding absorption wavelength of Chl a (673 nm) made possible the estimation of biomass for any absorption coefficient calculated from reflectance measurements of any other data set. The latter was validated for an independent data set which performed an acceptable estimation of biomass in comparison with the biomass measured by HPLC (R2=0.93). Finally, this model is designed to be applied to hyperspectral images, like airborne or satellite, in order to map biomass in the field. 相似文献
97.
Anti-icing performance of superhydrophobic surfaces 总被引:6,自引:0,他引:6
This article studies the anti-ice performance of several micro/nano-rough hydrophobic coatings with different surface chemistry and topography. The coatings were prepared by spin-coating or dip coating and used organosilane, fluoropolymer or silicone rubber as a top layer. Artificially created glaze ice, similar to the naturally accreted one, was deposited on the nanostructured surfaces by spraying supercooled water microdroplets (average size ∼80 μm) in a wind tunnel at subzero temperature (−10 °C). The ice adhesion strength was evaluated by spinning the samples in a centrifuge at constantly increasing speed until ice delamination occurred. The results show that the anti-icing properties of the tested materials deteriorate, as their surface asperities seem to be gradually broken during icing/de-icing cycles. Therefore, the durability of anti-icing properties appears to be an important point for further research. It is also shown that the anti-icing efficiency of the tested superhydrophobic surfaces is significantly lower in a humid atmosphere, as water condensation both on top and between surface asperities takes place, leading to high values of ice adhesion strength. This implies that superhydrophobic surfaces may not always be ice-phobic in the presence of humidity, which can limit their wide use as anti-icing materials. 相似文献
98.
MWCNTs-C-PO_3H_2 has been used as an efficient,heterogeneous and reusable nanocatalyst for synthesis of acylals from aldehydes under solvent-free conditions at room temperature.A wide range of aldehydes was studied and corresponding products were obtained in good to excellent yields in short reaction times.Nanocatalyst can be easily recovered by centrifuge and reused for subsequent reactions for at least five times without deterioration in catalytic activity.The major advantages of the present method are high yields,short reaction time,recyclable catalyst and solvent-free reaction conditions at room temperature. 相似文献
99.
Benzoxazoles can be rapidly and efficiently synthesized from acyl chloride with 2-aminophenols in one simple step, which provided a practical and efficient method for high-throughput synthesis of this important class of heterocyclic compounds. 相似文献
100.
A new, one‐pot condensation of aldehydes, enolizable ketones and esters, AcCl, and MeCN, in the presence of Fe3O4 nanoparticles (nano‐Fe3O4) as an efficient catalyst, for the preparation of β‐acetamido carbonyl compounds at room temperature is described. 相似文献