全文获取类型
收费全文 | 11673篇 |
免费 | 599篇 |
国内免费 | 160篇 |
专业分类
化学 | 8280篇 |
晶体学 | 99篇 |
力学 | 582篇 |
综合类 | 3篇 |
数学 | 1451篇 |
物理学 | 2017篇 |
出版年
2024年 | 21篇 |
2023年 | 88篇 |
2022年 | 209篇 |
2021年 | 493篇 |
2020年 | 444篇 |
2019年 | 520篇 |
2018年 | 553篇 |
2017年 | 449篇 |
2016年 | 739篇 |
2015年 | 492篇 |
2014年 | 693篇 |
2013年 | 1272篇 |
2012年 | 950篇 |
2011年 | 900篇 |
2010年 | 660篇 |
2009年 | 541篇 |
2008年 | 588篇 |
2007年 | 491篇 |
2006年 | 347篇 |
2005年 | 344篇 |
2004年 | 214篇 |
2003年 | 213篇 |
2002年 | 173篇 |
2001年 | 89篇 |
2000年 | 60篇 |
1999年 | 67篇 |
1998年 | 42篇 |
1997年 | 56篇 |
1996年 | 51篇 |
1995年 | 40篇 |
1994年 | 41篇 |
1993年 | 21篇 |
1992年 | 38篇 |
1991年 | 32篇 |
1990年 | 31篇 |
1989年 | 36篇 |
1988年 | 32篇 |
1987年 | 34篇 |
1986年 | 30篇 |
1985年 | 38篇 |
1984年 | 35篇 |
1983年 | 19篇 |
1982年 | 30篇 |
1981年 | 20篇 |
1980年 | 24篇 |
1979年 | 22篇 |
1978年 | 19篇 |
1977年 | 13篇 |
1976年 | 15篇 |
1974年 | 16篇 |
排序方式: 共有10000条查询结果,搜索用时 484 毫秒
951.
Topological indices are numerical parameters of a molecular graph, which characterize its topology and are usually graph invariant. In quantitative structure–activity relationship/quantitative structure–property relationship study, physico‐chemical properties and topological indices such as Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study hex‐derived networks HDN1(n) and HDN2(n), which are generated by hexagonal network of dimension n and derive analytical closed results of general Randić index Rα(G) for different values of α, for these networks of dimension n. We also compute the general first Zagreb, ABC, GA, ABC4, and GA5 indices for these hex‐derived networks for the first time and give closed formulae of these degree‐based indices for hex‐derived networks. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
952.
Well‐oriented ZnO nanorods (NRs) arrays were grown on Si, alumina, quartz, and FTO substrates through a ZnO seed layer followed by low temperature wet chemical process. The influence of sputtered ZnO seed layer thickness (100, 50, 32, and 16 nm), annealing temperature and CuOx coverage on the characteristics of ZnO NRs were investigated in this study. The crystalline structural, chemical, morphological, optical, and electrical properties of ZnO NRs arrays were studied by X‐ray diffraction (XRD), field emission‐ scanning electron microscopy equipped by energy dispersive X‐ray spectroscopy (FE‐SEM/EDX), Raman scattering, UV/Vis ‐ near IR absorption spectroscopy and current‐voltage characteristic. XRD and Raman spectra measurement revealed that the synthesize ZnO displayed hexagonal wurtzite structure. The individual rod diameter, density, and orientation can be controlled by varying the seed layer thickness. The mean diameter and maximum length of ZnO NRs are around 55–66 nm and 282 nm, respectively. ZnO NRs/ ZnO thin film structure shows optical switching and negative differential resistance behavior as applicable to ON/OFF gate and memory devices. 相似文献
953.
Jamshid Rakhtshah Mohammad Ali Zolfigol Saeed Baghery 《Journal of Coordination Chemistry》2017,70(2):340-360
A nickel(II) Schiff base complex immobilized on multi-wall carbon nanotubes (MWCNTs) surface as a highly efficient heterogeneous catalyst was synthesized and characterized by IR, X-ray diffraction patterns, scanning electron microscopy, energy-dispersive X-ray spectroscopy, inductively coupled plasma, elemental analysis, and thermal gravimetric analysis. Then a facile and environmentally benign procedure was developed for synthesis of polyhydroquinoline derivatives via Hantzsch one-pot condensation reaction of aromatic aldehydes, 1,3-diones, ethyl acetoacetate, and ammonium acetate in the presence of above synthesized catalyst under solvent-free conditions. This protocol has the advantages of stability, easy availability, recyclability and eco-friendly nature of catalyst, simple experimental and work-up procedure, and also high to excellent yields. Considering the solvent-free condition and also temperature, time, and yield of the model reaction, the nanocatalyst reported here is among the best catalysts reported so far for synthesis of polyhydroquinolines. 相似文献
954.
Shabbir Hussain Saira Shahzadi Muhammad Shahid Asif Ali Tahir Syed Mustansar Abbas 《Journal of Coordination Chemistry》2017,70(24):4070-4092
Bimetallic chlorodi-/triorganotin(IV) derivatives of general formulas R2(H2O)SnLCSSSn(Cl)R2 (R=Me: 1; Ph: 2) and R3Sn(Na)LCSSSnR3·H2O (R=Bu: 3; Ph: 4) were prepared by reaction of iminodiacetic acid disodium salt hydrate (Na2LH) with CS2 and R2SnCl2/R3SnCl in methanol. The reaction between Na2LH, CS2, and PdCl2 produced [Na2LCSS]2Pd·2H2O (5) which was treated with R3SnCl to synthesize the heterobimetallic derivatives [R3Sn(Na)LCSS]2Pd·2H2O (R=Me: 6; Ph: 7). The complexes were characterized by microanalysis, spectroscopic, and thermogravimetric analyses. Elemental analysis data, mass fragmentation, and thermal degradation patterns supported the molecular composition of the complexes. FT-IR data indicated monodentate binding of carboxylate while a chelating coordination mode of the dithiocarboxylate was verified in the solid state. A five-coordinate tin(IV) was demonstrated in the solid state. In solution, a tetrahedral/trigonal bipyramidal configuration around Sn(IV) and a square planar geometry of Pd(II) was indicated by multinuclear NMR (1H and 13C) and UV-visible studies. The Pd(II) derivatives showed interaction with salmon sperm-DNA and caused an inhibition of alkaline phosphatase (ALPs). The antibacterial/antifungal potential of the coordination products varied with the nature of incorporated metal and a substitution pattern at tin(IV); the palladium metallation decreased the antimicrobial activities. The triorganotin(IV) products exhibited more powerful action against bacteria/fungi as compared to their diorganotin(IV) counterparts. The complexes displayed sufficiently lower hemolytic effects in vitro as compared to triton X-100 and slightly higher than PBS. 相似文献
955.
Mirabegron is a novel β3-adrenoceptor agonist containing an amide group. It was subjected to stress conditions of acidic and alkaline hydrolyses. The hydrolytic degradation product was isolated and its structure was confirmed using mass and IR spectrometry. Two stability-indicating chromatographic methods have been proposed for the determination of mirabegron. TLC method was applied using silica gel as stationary phase and chloroform–methanol–ammonia (9.0:1.0:0.1 by volume) as the mobile phase, and chromatograms were scanned at 250 nm. Accurate determination of the drug was achieved over the concentration range of 2–12 μg per band. In addition, an isocratic HPLC method was developed on Agilent C18 column (150 mm × 4.5 mm I.D., particle size 5 µm) using ethanol-phosphate buffer pH 2.5 (30:70, by volume) as a mobile phase with flow rate of 1 mL min?1.The intact drug was detected at 250 nm with running time less than 5 min. Mirabegron was determined accurately in a concentration range of 1–25 µg mL?1. The proposed chromatographic methods were applied successfully for the assay of mirabegron in pharmaceutical dosage form and both methods were validated as per the International Conference on Harmonization guidelines and statistically compared with a reported gradient HPLC method. 相似文献
956.
Ali Khumaeni Masahiko Tani Kazuyoshi Kurihara Kiichiro Kagawa Hideaki Niki 《Analytical letters》2017,50(12):1992-1999
A novel method of laser-induced plasma spectroscopy utilizing a pulsed transversely excited atmospheric CO2 laser has been developed for the high-sensitivity determination of heavy metals in soil. A coarse metal powder was used to trap the soil and to assist with plasma generation. When the CO2 laser (10.6?µm, 1.5?J, 200?ns) was irradiated on the metal and soil powder, a high-temperature and long-lifetime luminous plasma was induced. Fine particles of soil were dissociated and were excited in the plasma region. The method was used for the rapid determination of Cr, Pb, and Hg in loam. The limits of detection for Cr, Pb, and Hg were approximately 0.8, 15, and 0.7?mg/kg, respectively. 相似文献
957.
Design of donor–acceptor–donor (D–A–D) type small molecule donor materials with efficient photovoltaic parameters 下载免费PDF全文
Muhammad Irfan Javed Iqbal Sana Sadaf Bertil Eliasson Usman Ali Rana Salah Ud‐din Khan Khurshid Ayub 《International journal of quantum chemistry》2017,117(10)
Four Donor–Acceptor–Donor (D–A–D) type of donor molecules (M1‐M4) with triphenylamine (TPA) as donor moiety, thiophene as bridge, and thiazolothiazole as acceptor unit were designed and its photovoltaic parameters were equated with reference molecule “R.” DFT functional CAM‐B3LYP/6‐31G (d,p) was found best for geometry optimization and TD‐CAM‐B3LYP/6‐31G (d,p) was found suitable for excited state calculations. Among designed donor molecules, M4 manifests suitable lowest band gap of 4.73 eV, frontier molecular orbital energy levels as well as distinctive broad absorption of 455.3 nm due to the stronger electron withdrawing group. The electron‐withdrawing substituents contribute to red shifts of absorption spectra and better stabilities for designed molecules. The theoretically determined reorganization energies of designed donor molecules suggested excellent charge mobility property. The lower λe values in comparison with λh illustrated that these four donor materials would be ideal for electron transfer and M4 would be best amongst the investigated molecules with lowest λe of 0.0177. Furthermore, the calculated Voc of M4 is 2.04 V with respect to PC60BM (phenyl‐C61‐butyric acid methyl ester). This study revealed that the designed donor materials are suitable and recommended for high performance organic solar cell devices. 相似文献
958.
Novel ZnS/Carbon Nanofiber Photocatalyst for Degradation of Rhodamine 6G: Kinetics Tracking of Operational Parameters and Development of a Kinetics Model 下载免费PDF全文
A novel nanocomposite in the role of photocatalyst was prepared by composition of zinc sulfide (ZnS) nanoparticles with carbon nanofibers (CNFs) and was characterized. The XRD, EDX, and FE‐SEM analysis revealed that ZnS is successfully embedded in CNFs matrix. The DRS results indicated that supporting of ZnS by CNFs led to a decrease of the band gap energy. The photocatalytic degradation of a hazardous xanthine dye, Rhodamine 6 G (Rh‐6G), by the prepared ZnS/CNFs composite was examined from the kinetics point of view. Nonlinear regression analysis was used to develop a mathematical kinetics model based on the Langmuir–Hinshelwood mechanism, and an empirical equation was obtained for the estimation of apparent pseudo‐first‐order rate constant (kap) as a function of operational parameters (viz. initial dye concentration, ZnS/CNFs content, pH, and irradiation intensity). Based on the results, kap increased with an increase ZnS/CNFs content, pH, and UV light intensity, whereas it decreased by increasing the initial Rh‐6G concentration. Moreover, a new kinetics model was obtained based on proposed elementary steps to determine kap. In the final stage of the work, intermediate materials produced within photocatalytic degradation of Rh‐6G dye were detected by GC‐MS analysis. 相似文献
959.
960.
Novel 2-cyano-N-[1-(naphtha-2-yl)ethylidene] acetohydrazide 1 was utilized as key intermediate for the synthesis of some new dithiolane, thiophene, coumarin, 2-pyridone, and other related products containing a hydrazide moiety. Newly synthesized compounds were characterized by elemental analyses and spectral data (IR, 1H NMR and mass spectra). The antimicrobial activity of the synthesized compounds was evaluated. 相似文献