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21.
Molecular dynamics simulation of the cation motion upon adsorption of CO2 in Faujasite zeolite systems 总被引:2,自引:0,他引:2
Plant DF Maurin G Jobic H Llewellyn PL 《The journal of physical chemistry. B》2006,110(29):14372-14378
Molecular Dynamics simulations have been carried out in NaX and NaY Faujasite systems to deepen understanding of the cation rearrangement during the CO2 adsorption process suggested by our recent diffusivity measurements. This study is a major contribution since the rearrangement of the cations in Faujasite, the most promising adsorbent for CO2 storage, can represent a significant breakthrough in understanding the adsorption and diffusion processes at the mircroscopic scale. For NaY, it has been shown that at low and intermediate loadings, SII cations can migrate toward the center of the supercage due to strong interactions with the adsorbates, followed by a hopping of SI'cation from the sodalite cage into the supercage to fill the vacant SII site. The SI cations are only displaced at a higher loading, leading to cation de-trapping out of the double six rings into the vacant SI' sites. For NaX, the SIII' cations which occupy the most accessible adsorption sites move significantly upon coordination to the carbon dioxide molecules. The SI' and SII cations remain consistently located in their initial sites whatever the loading. Indeed, the most probable migration mechanism involves SIII' cation displacements into nearby vacant SIII' sites. 相似文献
22.
Moore AS Gumbrell ET Lazarus J Hohenberger M Robinson JS Smith RA Plant TJ Symes DR Dunne M 《Physical review letters》2008,100(5):055001
Experimental investigations into the dynamics of cylindrical, laser-driven, high-Mach-number shocks are used to study the thermal cooling instability predicted to occur in astrophysical radiative blast waves. A streaked Schlieren technique measures the full blast-wave trajectory on a single-shot basis, which is key for observing shock velocity oscillations. Electron density profiles and deceleration parameters associated with radiative blast waves were recorded, enabling the calculation of important blast-wave parameters including the fraction of radiated energy, epsilon, as a function of time for comparison with radiation-hydrodynamics simulations. 相似文献
23.
Nabil N. AL‐Hashimi Rand O. Shahin Aqeel N. AL‐Hashimi Ajeal M. Al Ajeal Lubna H. Tahtamouni Chanbasha Basheer 《Biomedical chromatography : BMC》2019,33(2)
A new cetyl‐alcohol‐reinforced hollow fiber solid/liquid‐phase microextraction (CA–HF–SLPME) followed by high‐performance liquid chromatography–diode array detection (HPLC–DAD) method was developed for simultaneous determination of ezetimibe and simvastatin in human plasma and urine samples. To prepare the CA–HF–SLPME device, the cetyl‐alcohol was immobilized into the pores of a 2.5 cm hollow fiber micro‐tube and the lumen of the micro‐tube was filled with 1‐octanol with the two ends sealed. Afterwards, the prepared device was introduced into 10 mL of the sample solution containing the analytes with agitation. Under optimized conditions, calibration curves plotted in spiked plasma and urine samples were linear in the ranges of 0.363–25/0.49–25 μg L?1 for ezetimibe/simvastatin and 0.193–25/0.312–25 μg L?1 for ezetimibe/simvastatin in plasma and urine samples, respectively. The limit of detection was 0.109/0.174 μg L?1 for ezetimibe/simvastatin in plasma and 0.058/0.093 μg L?1 for ezetimibe/simvastatin in urine. As a potential application, the proposed method was applied to determine the concentration of selected analytes in patient plasma and urine samples after medication and satisfactory results were achieved. In comparison with reference methods, the CA–HF–SLPME–HPLC–DAD method demonstrates considerable potential in the biopharmaceutical analysis of selected drugs. 相似文献
24.
Stereoselective syntheses of both the natural (C5'- S) and unnatural (C5'- R) diastereoisomers of uracil polyoxin C methyl ester have been developed. The key stereocontrolled step involves nucleophilic addition of trimethylsilyl cyanide to the appropriate chiral sulfinimine derived from 2',3'-protected 5'-formyluridine and (S)-(-)-tert-butanesulfinamide or (R)-(+)-tert-butanesulfinamide, respectively. A variety of substrate mimics designed to function as inhibitors of chitin synthase have been synthesized by conjugation of the methyl ester of uracil polyoxin C (UPOC) with activated isoxazole carboxylic acids. Amide bond formation was accomplished via coupling of the amino functionality of UPOC methyl ester with a free isoxazole acid using HBTU or alternatively an isoxazole pentafluorophenyl ester. The substrate mimics incorporate features of the nucleoside-peptide antibiotics, the polyoxins and the nikkomycins, as well as features of the transition state structure expected during polymerization of the natural chitin synthase substrate uridine diphosphoryl-N-acetylglucosamine (UDP-GlcNAc), namely, a metal-binding site and glycosyl oxocarbenium ion mimic. 相似文献
25.
Chitosan loaded with silver nanoparticles,CS‐AgNPs,using thymus syriacus,wild mint,and rosemary essential oil extracts as reducing and capping agents 下载免费PDF全文
Fadi AL‐Shnani Thanaa Al‐Haddad Francois Karabet Abdul Wahab Allaf 《Journal of Physical Organic Chemistry》2017,30(11)
The present study describes the green method for the preparation of chitosan loaded with silver nanoparticles (CS‐AgNPs) in the presence of 3 different extracted essential oils. The essential oils play dual roles as reductant and capping agents. The reducing power and DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) assay for the 3 essential oils—Thymus syriacus (T), wild mint (M), and rosemary (R)—have been reported. The preparation of CS‐AgNPs was performed by 2 steps. The 3 previously extracted essential oils have been used as reducing and capping agent in the first step, while in the second step, silver nanoparticles were integrated in chitosan. The integration of AgNPs in the structure of chitosan was confirmed by ultraviolet‐visible, Fourier transform infrared spectroscopy, scanning electron microscopy techniques, and energy dispersive X‐ray. Surface plasmon resonance confirmed the formation of CS‐AgNPs with maximum absorbance at λmax between 405 ‐ 410 and 410 ‐ 430 nm for colloidal and films of CS‐AgNPs, respectively. The intensity of bands at 3408 cm?1 in the fourier transform infrared spectroscopy measurements was decreased substantially and shifted slightly to lower frequency (?υ = 43 cm?1). Scanning electron microscopy shows a spherical morphology of AgNPs with size of 62 nm for both colloidal and film samples, and energy dispersive X‐ray analysis shows peaks confirming AgNPs formation. 相似文献
26.
Ji Xia Zhang Yong Xue Wanga Zhi An Hea Fu Lin Yana Han Dong Sunb a Pharmaceutical Laboratory Xinxiang Medical University Xinxiang China b State Key Laboratory of Phytochemistry Plant Resources in West China Kunming Institute of Botany Chinese Academy of Sciences Kunming China 《中国化学快报》2009,20(2):201-203
Two new ent-kaurane diterpenoids taihangexcisoidesin A and B(1 and 2),were isolated from the EtOAc extract of the leaves of Isodon excisoides.Their structures were determined on the basis of spectroscopic methods. 相似文献
27.
Khaldun M. AL Azzam Bahruddin Saad Rohana Adnan Muhammad Idiris Saleh 《Mikrochimica acta》2009,166(3-4):311-317
A fast capillary electrophoretic method is described for the separation and determination of the enantiomers of the novel wake-promoting agent, modafinil. Several parameters affecting the separation were studied, including the type and concentration of chiral selector, buffer pH, buffer concentration, voltage and temperature. Good chiral separation of the racemic mixture was achieved in less than 5 min with resolution factor Rs?=?2.51, using a bare fused-silica capillary and a background electrolyte (BGE) of 25 mM H3PO4?1 M tris solution; pH 8.0; containing 30 mg mL?1 of sulfated-β-cyclodextrin (S-β-CD). The separation was carried out in normal polarity mode at 25 ?C, 18 kV and using hydrostatic injection. Acceptable validation criteria for selectivity, linearity, precision, and accuracy were included. The developed method was successfully applied to the assay of enantiomers of modafinil in pharmaceutical formulations. The computational calculations for the enantiomeric inclusion complexes rationalized the reasons for the different migration times between the modafinil enantiomers. 相似文献
28.
HUANG HuoQiang PAN XuLin JI ChangJiu ZENG GuangZhi JIANG LiHua FU Xiang LIU JiKai HAO XiaoJiang ZHANG YingJun & TAN NingHua State Key Laboratory of Phytochemistry Plant Resources in West China Kunming Institute of Botany Chinese Academy of Sciences Kunming China Graduate University of the Chinese Academy of Sciences Beijing 《中国科学B辑(英文版)》2009,(3)
Carbonic anhydrase Ⅱ (CAⅡ) is an important enzyme complex with Zn2+,which is involved in many physiological and pathological processes, such as calcification, glaucoma and tumorigenicity. In order to search for novel inhibitors of CAⅡ, inhibition assay of carbonic anhydrase Ⅱ was performed, by which seven natural phenolic compounds, including four phenolics (grifolin, 4-O-methyl-grifolic acid, grifolic acid, and isovanillic acid) and three flavones (eriodictyol, quercetin and puerin A), showed in-hibitory a... 相似文献
29.
A new triterpenoid saponin with novel sugar moiety (1), a new trisaccharide derivative (2), as well as a known monosaccharide derivative (3), were isolated from the dried stem of Epigyhum aurilum. The structures of compounds 1 and 2 were determined by MS and NMR spectram analyses. 相似文献
30.