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51.
The potential energy curves have been investigated for the 13 lowest sextet electronic states in the representation below 53,000 cm?1 of the molecule CrCl via CASSCF and MRCI (single and double excitation with Davidson correction) calculations. The harmonic frequency ωe, the internuclear distance re, the rotational constant Be, the electronic energy with respect to the ground state Te, and the permanent dipole moment μ have been calculated. By using the canonical functions approach, the eigenvalues Ev, the rotational constant Bv, and the abscissas of the turning points rmin and rmax have been calculated for the considered electronic states up to the vibrational level v = 16. Nine electronic states have been studied theoretically here for the first time. The comparison of these values with the theoretical and experimental results available in the literature shows a good agreement. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012 相似文献
52.
Alaa A. Hassan Kamal M. El‐Shaieb Raafat M. Shaker Dietrich Dpp 《Heteroatom Chemistry》2005,16(1):12-19
1,4‐Disubstituted thiosemicarbazides 1b–f reacted with ethenetetracarbonitrile ( 5 ) in di‐ methylformamide with formation of 2‐substituted 5‐phenyl‐1,3,4‐thiadiazoles 2a–f and 2‐substituted 5‐phenyl‐1,3,4‐oxadiazoles 4a–f . Upon addition of 5 to 1c–e in chlorobenzene, 3‐amino‐2‐benzoyl‐4,5,5‐tri‐ cyano‐2,5‐dihydro‐1H‐pyrazole‐1‐[N‐(4‐tricyanovi‐nyl)phenyl]carbothioamide ( 12 ), 5‐benzylamino‐, and 5‐allylamino‐4‐benzoyl‐2,3‐dihydro‐[1,3,4]thiadiazol‐ 2,2‐dicarbonitrile ( 13a,b ) and 5‐amino‐1‐benzoylpyrazole‐3,4‐dicarbonitrile ( 14 ) as well as 2‐phenyl‐ 4H‐[1,3,4]‐oxadiazine‐5,6‐dicarbonitrile ( 15 ) were formed. Rationales for the role of the solvent and the conversions observed are presented. © 2005 Wiley Periodicals, Inc. Heteroatom Chem 16:12–19, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20071 相似文献
53.
Substituted thiosemicarbazones 7a–e reacted with ethenetetracarbonitrile (TCNE) in ethyl acetate with formation of 5‐amino‐3‐(substituted ben‐zylidene‐amino)‐2‐phenylimino‐2,3‐dihydrothiazole‐4‐carbonitrile 8a–e 2‐amino‐6‐phenyl‐imino‐1,6‐ dihydropyrrolo[1,3,4]thiadiazine‐3‐carbonitrile 9 , and phenyl‐(5‐{substituted phenyl}‐3H‐[1,3,4]thiadiazole‐2‐ylidene)amines 10a–e . Rationales for the observed conversations are presented. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:261–266, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20198 相似文献
54.
55.
Rameesha Abid Shakira Ghazanfar Arshad Farid Samra Muhammad Sulaman Maryam Idrees Radwa Abdallnasser Amen Muhammad Muzammal Muhammad Khurram Shahzad Mohamed Omar Mohamed Alaa Ashraf Khaled Waqas Safir Ifra Ghori Abdelbaset Mohamed Elasbali Bandar Alharbi 《Molecules (Basel, Switzerland)》2022,27(13)
Plant bioactive compounds, particularly apigenin, have therapeutic potential and functional activities that aid in the prevention of infectious diseases in many mammalian bodies and promote tumor growth inhibition. Apigenin is a flavonoid with low toxicities and numerous bioactive properties due to which it has been considered as a traditional medicine for decades. Apigenin shows synergistic effects in combined treatment with sorafenib in the HepG2 human cell line (HCC) in less time and statistically reduces the viability of tumor cells, migration, gene expression and apoptosis. The combination of anti-cancerous drugs with apigenin has shown health promoting potential against various cancers. It can prevent cell mobility, maintain the cell cycle and stimulate the immune system. Apigenin also suppresses mTOR activity and raises the UVB-induced phagocytosis and reduces the cancerous cell proliferation and growth. It also has a high safety threshold, and active (anti-cancer) doses can be gained by consuming a vegetable and apigenin rich diet. Apigenin also boosted autophagosome formation, decreased cell proliferation and activated autophagy by preventing the activity of the PI3K pathway, specifically in HepG2 cells. This paper provides an updated overview of apigenin’s beneficial anti-inflammatory, antibacterial, antiviral, and anticancer effects, making it a step in the right direction for therapeutics. This study also critically analyzed the effect of apigenin on cancer cell signaling pathways including the PI3K/AKT/MTOR, JAK/STAT, NF-κB and ERK/MAPK pathways. 相似文献
56.
AbstractDiphenyl-4-thioxo-1,4-dihydropyrimidin-5-yl)ethan-1-one 4 was obtained upon the reaction of (phenylamino)but-2-enethioyl)benzamide 3 with sodium hydroxide. The reactions of 4 with several active species such as benzaldehyde, urea, malononitrile, ethyl cyanoacetate, hydrazine, and carbon disulfide were studied. The antitumor activities of some selective compounds were examined against two cell lines: Mammalian cell lines: A-549 cells (human lung cancer cell line) and MRC-5 cells (normal human lung fibroblast cell line); some of the compounds were highly efficient; compound 13 has the most effective anticancer activity. 相似文献
57.
Ahmed E. Allam Alaa M. Nafady Toshinori Nakagawa Naomichi Takemoto 《Natural product research》2018,32(16):1920-1925
Two new flavonoid glycosides, kaempferol 3-O-α-L-rhamnopyranosyl (1→6) (3′′-acetyl)-β-D-galactopyranoside 1 and kaempferol 3-O-α-L-arabinopyranosyl-5-O-α-L-rhamnopyranoside 2, along with six known ones 3–8 were isolated from the flowers of Vicia faba L. (Fabaceae). Methanol extract and the isolated compounds were tested against lipase and melanogenesis inhibition activities and resulted in that compound 2 showed 53 and 77% lipase inhibition activity in concentrations of 400 and 800 μg/mL, respectively. For melanogenesis, compounds 2, 3 and 4 exhibited potent melanogenesis inhibition activity where the melanin content in melanoma cells was decreased to be about 57.5, 56 and 61%, respectively, with no obvious melanocytotoxicity. The rest of compounds showed weak to moderate activity. The results of melanogenesis inhibition activity of this study suggested the potential use of Vicia faba flowers as a skin-whitening agent and reveal the flowers to be a rich source of important phytochemicals with antilipase and melanogenesis inhibitory activity. 相似文献
58.
Alaa S. Amin 《Mikrochimica acta》1997,126(1-2):105-108
A simple, rapid and accurate colorimetric method is proposed for the determination of tannins, based on the reduction of tetrazolium blue in alkaline medium by tannins at 90 ± 2 °C for 15 min, leading to the formation of a highly coloured formazan derivative. Absorbance measurements were made at 527 nm and the calibration graph was linear for 0.2-9.0 g/ml of tannic acid. For more accurate analysis, the Ringbom optimum concentration range was found to be 0.5–8.2 g/ml. The relative standard deviation for the determination in a tea sample containing 7.55% tannins was 1.65%. Most of the ingredients commonly found in tea samples do not interfere with the determination. Several tea samples were analysed using the proposed method. 相似文献
59.
Ching-Min Chang Marian W. Kemblowski Jagath J. Kaluarachchi Alaa Abdin 《Transport in Porous Media》1995,19(3):233-259
Stochastic analysis of steady-state two-phase (water and oil) flow in heterogeneous porous media is performed using the perturbation theory and spectral representation techniques. The governing equations describing the flow are coupled and nonlinear. The key stochastic input variables are intrinsic permeability,k, and the soil and fluid dependent retention parameter, . Three different stochastic combinations of these two imput parameters were considered. The perturbation/spectral analysis was used to develop closed-form expressions that describe stochastic variability of key output processes, such as capillary and individual phase pressures and specific discharges. The analysis also included the estimation of the effective flow properties. The impact of the spatial variability ofk and on the variances of pressures, effective conductivities, and specific discharges was examined. 相似文献
60.
Ahmed A. Abdel-Khalek Alaa E. D. M. Abdel-Hady Mohamed F. El-Shahat 《Transition Metal Chemistry》1995,20(5):430-434
Summary In aqueous solutions, [Cr(en)3]3+ aquates to [Cr(en)2-(H2O) 2]3+. A kinetic study of the oxidation of [Cr(en)3]3+ by N-bromosuccinimide (NBS) in aqueous solutions and water-alcohol solvent mixtures was performed. The reaction is first order with respect to both total [CrIII] and [NBS]. The rate is inversely dependent upon [H+] in the 7.0–7.9 pH range, and varies with the co-solvent according to the order: MeOH > EtOH > PrOH. An appropriate mechanism, in which the deprotonated [Cr(en)2(OH)(H2O)]2+ is the reactive species, is suggested. Thermodynamic activation parameters have been calculated.Abstracted from the PhD thesis (Ain Shams University) of A. E.- D. M. Abdel-Hady. 相似文献