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171.
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Three‐dimensional structure of cyclic antibiotic teicoplanin aglycone using NMR distance and dihedral angle restraints in a DMSO solvation model
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Nina C. Gonnella Nelu Grinberg Mark Mcloughlin Om Choudhary Keith Fandrick Shengli Ma 《Magnetic resonance in chemistry : MRC》2015,53(10):829-835
The three‐dimensional solution conformation of teicoplanin aglycone was determined using NMR spectroscopy. A combination of NOE and dihedral angle restraints in a DMSO solvation model was used to calculate an ensemble of structures having a root mean square deviation of 0.17 Å. The structures were generated using systematic searches of conformational space for optimal satisfaction of distance and dihedral angle restraints. Comparison of the NMR‐derived structure of teicoplanin aglycone with the X‐ray structure of a teicoplanin aglycone analog revealed a common backbone conformation with deviation of two aromatic side chain substituents. Experimentally determined backbone 13C chemical shifts showed good agreement with those computed at the density functional level of theory, providing a cross validation of the backbone conformation. The flexible portion of the molecule was consistent with the region that changes conformation to accommodate protein binding. The results showed that a hydrogen‐bonded DMSO molecule in combination with NMR‐derived restraints together enabled calculation of structures that satisfied experimental data. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
173.
Click Chemistry Mediated Functionalization of Vertical Nanowires for Biological Applications
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Surendra Vutti Dr. Sanne Schoffelen Dr. Jessica Bolinsson Nina Buch‐Månson Prof. Nicolas Bovet Prof. Jesper Nygård Prof. Karen L. Martinez Prof. Morten Meldal 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(2):496-500
Semiconductor nanowires (NWs) are gaining significant importance in various biological applications, such as biosensing and drug delivery. Efficient and controlled immobilization of biomolecules on the NW surface is crucial for many of these applications. Here, we present for the first time the use of the CuI‐catalyzed alkyne–azide cycloaddition and its strain‐promoted variant for the covalent functionalization of vertical NWs with peptides and proteins. The potential of the approach was demonstrated in two complementary applications of measuring enzyme activity and protein binding, which is of general interest for biological studies. The attachment of a peptide substrate provided NW arrays for the detection of protease activity. In addition, green fluorescent protein was immobilized in a site‐specific manner and recognized by antibody binding to demonstrate the proof‐of‐concept for the use of covalently modified NWs for diagnostic purposes using minute amounts of material. 相似文献
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Dr. Nikolay A. Pushkarevsky Elena A. Chulanova Prof. Dr. Leonid A. Shundrin Dr. Anton I. Smolentsev Dr. Georgy E. Salnikov Dr. Elena A. Pritchina Dr. Alexander M. Genaev Dr. Irina G. Irtegova Prof. Dr. Irina Yu. Bagryanskaya Prof. Dr. Sergey N. Konchenko Prof. Dr. Nina P. Gritsan Prof. Dr. Jens Beckmann Prof. Dr. Andrey V. Zibarev 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(3):806-816
By means of cyclic voltammetry (CV) and DFT calculations, it was found that the electron-acceptor ability of 2,1,3-benzochalcogenadiazoles 1 – 3 (chalcogen: S, Se, and Te, respectively) increases with increasing atomic number of the chalcogen. This trend is nontrivial, since it contradicts the electronegativity and atomic electron affinity of the chalcogens. In contrast to radical anions (RAs) [ 1 ].− and [ 2 ].−, RA [ 3 ].− was not detected by EPR spectroscopy under CV conditions. Chemical reduction of 1 – 3 was performed and new thermally stable RA salts [K(THF)]+[ 2 ].− ( 8 ) and [K(18-crown-6)]+[ 2 ].− ( 9 ) were isolated in addition to known salt [K(THF)]+[ 1 ].− ( 7 ). On contact with air, RAs [ 1 ].− and [ 2 ].− underwent fast decomposition in solution with the formation of anions [ECN]−, which were isolated in the form of salts [K(18-crown-6)]+[ECN]− ( 10 , E=S; 11 , E=Se). In the case of 3 , RA [ 3 ].− was detected by EPR spectroscopy as the first representative of tellurium–nitrogen π-heterocyclic RAs but not isolated. Instead, salt [K(18-crown-6)]+2[ 3 -Te2]2− ( 12 ) featuring a new anionic complex with coordinate Te−Te bond was obtained. On contact with air, salt 12 transformed into salt [K(18-crown-6)]+2[ 3 -Te4- 3 ]2− ( 13 ) containing an anionic complex with two coordinate Te−Te bonds. The structures of 8 – 13 were confirmed by XRD, and the nature of the Te−Te coordinate bond in [ 3 -Te2]2− and [ 3 -Te4- 3 ]2− was studied by DFT calculations and QTAIM analysis. 相似文献
175.
Mikhail Kamencev Nina Yakimova Leonid Moskvin Irina Kuchumova Kirill Tkach Yulia Malinina Oleg Tungusov 《Electrophoresis》2015,36(24):3014-3017
Separation of 6Li and 7Li isotopes by CZE was demonstrated. The BGE contained 5 mM 4‐aminopyridine, 0.9 mM oxalic acid, 0.25 mM CTAB, and 0.25% w/v Tween 20 (рН = 9.2). The running conditions were +25 kV at 30°C with indirect photometric detection at 261 nm. Under optimal experimental conditions, the analysis time was less than 21 min. Separation of Li preparations with mole fraction of 6Li ranging from 3.44 up to 90.38% was demonstrated. 相似文献
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Shokufeh Malakzadeh Nina Alizadeh 《Journal of inclusion phenomena and macrocyclic chemistry》2018,90(1-2):89-98
The aim of the study was to synthesize and characterization the inclusion complexes of amlodipine besylate (AML) drug with β-cyclodextrin (β-CD) and γ-cyclodextrin (γ-CD) which has antioxidating activity property. The guest/host interaction of AML with β-CD and γ-CD in order to complexation drug in β-CD and γ-CD were investigated. The interaction inclusion complexes was characterized by fourier transform infrared and ultraviolet–visible spectroscopies. The formation constant was calculated by using a modified Benesi–Hildebrand equation at 25 °C. The stoichiometry of inclusion complexes was found to be 1:1 for β-CD and γ-CD with AML drug. The antioxidant activity of AML drug and its inclusion complexes were determined by the scavenging of stable radical 2,2′-diphenyl-1-picrylhydrazyl (DPPH·). Kinetic studies of DPPH· with AML and CDs complexes were done. The experimental results confirmed the forming of AML complexes with CDs also these indicated that the AML/β-CD and AML/γ-CD inclusion complexes was the most reactive than its free form into antioxidant activity. 相似文献
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