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981.
Keshvar Rahimpour Ali Shafagh-Azar Hassan Abbasi Amir Mohammad-Gholizadeh Zeinab Hezarkhani Reza Teimuri-Mofrad 《应用有机金属化学》2020,34(6):e5633
A ferrocenyl-based, chromophore-containing 1-indanone derivative was synthesized through crotonic condensation between 4-chlorobutylferrocenecarboxaldehyde and 5,6-dimethoxy-1-indanone followed by the nucleophilic substitution of chlorine atom of the obtained dyad with different aromatic and aliphatic amines. The electrochemical and optical properties of the synthesized compounds were investigated to explore the relationship between their structures and optical and electrochemical properties. The bandgaps determined from optical absorption spectra ranged from 2.05 to 2.15 eV. The important electrochemical parameters, including the peak potential separation, peak current ratios, and the dependence of peak currents on the scan rate, were studied. Results showed an electrochemically reversible redox system with diffusion-controlled redox process for the synthesized compounds. The study of quantum chemistry was performed on the synthesized compounds using the density functional theory approach. The B3LYP method and 6-311 G(d) basis set were used for optimizing the structures in the gas phase. The theoretical and experimental results show that these compounds can be considered as candidates to be used in optical applications. 相似文献
982.
Design and synthesis of a magnetic hierarchical porous organic polymer: A new platform in heterogeneous phase‐transfer catalysis 下载免费PDF全文
Recyclable phase transfer catalysts containing magnetic nanoparticles (MNPs) have been known as a major trend towards sustainable catalysts. In this study, a novel class of magnetic porous polymer on the basis of calix[4]resorcinarene was synthesized starting from silica‐coated Fe3O4 core‐shell nanoparticles. This compound was found as an efficient phase transfer catalyst to the conversion of benzyl halides into benzyl azides and cyanides in good yields. The catalyst could be used at least for five consecutive cycles without appreciable loss in the catalytic activity. 相似文献
983.
Spectroscopic,DFT and antimicrobial activity of Zn(II), Zr(IV), Ce(IV) and U(VI) complexes of N,N‐ chelated 4,6‐bis (4‐chlorophenyl)‐2‐amino‐1,2‐dihydropyridine‐3‐carbinitrile 下载免费PDF全文
Four novel metal complexes of 4,6‐bis (4‐chlorophenyl)‐2‐amino‐1,2‐dihydropyridine‐3‐carbinitrile (H2L) with Zn(II), Zr(IV), Ce(IV) and U(VI) were synthesized. The structure was elucidated using elemental analysis, melting point, molar conductivity; spectroscopic techniques (IR, 1H NMR, UV–Vis., mass spectra) as well as thermo gravimetric analysis. The spectroscopic data proved that H2L chelated with the metal ions as a bidentate ligand through Namino and Ncarbinitrile atoms. The molecular structure of the complexes was determined using density functional theory (DFT). The central metal ion in each complex is six‐coordinate and the angles around it vary from 62.74° to 166.46°; these values agree with distorted octahedral geometry. The calculated total energy of the complexes found in the region – 406.342 to ?459.717 au and the dipole moment change from 4.675 to 13.171D. The antibacterial and antifungal activities of the ligand, metal salts and complexes were estimated on some microorganisms. The complexes showed significant antibacterial profile in comparison to the free ligand. 相似文献
984.
A new supramolecular zinc(II) complex containing 4‐biphenylcarbaldehyde isonicotinoylhydrazone ligand: Nanostructure synthesis,catalytic activities and Hirshfeld surface analysis 下载免费PDF全文
Yunes Abbasi Tyula Abedien Zabardasti Hamid Goudarziafshar Monika Kucerakova Michal Dusek 《应用有机金属化学》2018,32(3)
A new potentially tridentate hydrazone ligand, 4‐biphenylcarbaldehyde isonicotinoylhydrazone (4‐bpinh), was prepared by the condensation of biphenyl‐4‐carboxaldehyde with isonicotinic acid hydrazide. Then, its nano‐sized and single crystal of zinc complex were synthesized using sonochemical and heat gradient methods, respectively. The structure of complex, [Zn(4‐bpinh)2 Br2] (1), was determined by single‐crystal X‐ray diffraction, FT‐IR, and elemental analysis, and the nano‐structure of complex was characterized by FT‐IR, XRD, and SEM. The single crystal X‐ray structure of complex showed that the metal center has a distorted tetrahedral geometry and the hydrazone ligand acts as monodentate trough the pyridyl N atom. Moreover, the analysis of crystal structures indicates the existence of intermolecular interactions such as N/C–H?Br/O, N/C–H?π, and π?π stacking in the stabilization of complex structure which finally led to the formation of the three‐dimensional supramolecular structure. Also, the impact of this interactions was more studied using Hirshfeld surface analysis and corresponding 2D fingerprint plots. Furthermore, the catalytic activity of 1 was studied in the selective oxidation of various sulfides to corresponding sulfoxides using hydrogen peroxide as the oxidative agent. 相似文献
985.
Mohsenzadeh Farshid Darabi Hossein Reza Alivand Mahsa Aghapoor Kioumars Balavar Yadollah 《Research on Chemical Intermediates》2020,46(12):5255-5262
Research on Chemical Intermediates - In this study, common naturally occurring organic acids, namely oxalic, malonic, succinic, tartaric and citric acid (as safe, inexpensive, and biodegradable... 相似文献
986.
Reza Mahmoudi Saeed Aghaei Zeinab Salehpour Ali Mousavizadeh Seyed Sajjad Khoramrooz Marzie Taheripour Sisakht Gunna Christiansen Marzieh Baneshi Bahman Karimi Hassan Bardania 《应用有机金属化学》2020,34(2):e5394
Due to environmentally friendly and cost- effective issues, biological methods for silver nanoparticles (AgNPs) synthesis are advantageous over chemical and physical ones. In this study, AgNPs synthesized using Lavandula stoechas extract as a reductant and its antioxidant capacity, antibacterial property and cytotoxicity effect were investigated. The phyto-synthesized AgNPs were characterized using various analyses such as transmission electron microscopy (TEM), scanning electron microscopy (SEM), x-ray diffraction (XRD) as well as Fourier transform infrared (FT-IR). The prepared nanoparticles were spherical on shape with the size about 20–50 nm. Antibacterial studies through agar disk diffusion method confirmed the antibacterial potential of phyto-synthesized AgNPs toward two clinical Staphylococus aureus and Pseudomonas aeruginosa bacteria, although MTT assay demonstrated that S. aureus (MIC = 125 μg/ml) was more susceptible to AgNPs than P. aeruginosa (MIC = 250 μg/ml). Moreover, the cytotoxicity assay of phyto-synthezied AgNPs showed a low cytotoxic effect on RAW264 cell line at 62.5 μg/ml as an effective concentration. Also the considerable antioxidant capacity of the AgNPs confirmed through DPPH assay. Great antibacterial and antioxidant properties along with biocompatibility make the suggested phyto-synthesized AgNPs a great candidate for different biomedical applications including wound healing. 相似文献
987.
Shahraki Shahdabadi Reza Maleki Akbar Haghighat S. Ghalandari Mohammad 《Journal of Thermal Analysis and Calorimetry》2021,145(4):2105-2122
Journal of Thermal Analysis and Calorimetry - Biomass is one of the most convenient types of renewable energy resources around the world. Densely populated areas all over the globe produce a vast... 相似文献
988.
Lazrak Malak Toufik Hamid Bouzzine Si Mohamed Lamchouri Fatima 《Research on Chemical Intermediates》2020,46(8):3961-3978
Research on Chemical Intermediates - In this work, a series of six organic dyes-sensitized solar cells (DSSCs) combining various π-bridges with a fixed donor (triphenylamine) and a fixed... 相似文献
989.
We study the Glauber dynamics for the random cluster (FK) model on the torus with parameters (p,q), for q ∈ (1,4] and p the critical point pc. The dynamics is believed to undergo a critical slowdown, with its continuous‐time mixing time transitioning from for p ≠ pc to a power‐law in n at p = pc. This was verified at p ≠ pc by Blanca and Sinclair, whereas at the critical p = pc, with the exception of the special integer points q = 2,3,4 (where the model corresponds to the Ising/Potts models) the best‐known upper bound on mixing was exponential in n. Here we prove an upper bound of at p = pc for all q ∈ (1,4], where a key ingredient is bounding the number of nested long‐range crossings at criticality. 相似文献
990.
Structural Chemistry - Comprehensive density functional theory calculations at B3LYP/6-311++G(d, p) level have been undertaken on a new type of organic Brønsted acids based on perchloric and... 相似文献