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991.
Henoc Flores Arturo Ximello E. Adriana Camarillo Patricia Amador 《Journal of Thermal Analysis and Calorimetry》2014,117(1):433-437
The energies of combustion of chromone-3-carboxylic acid (C3CA), 6-methylchromone-2-carboxylic acid (6MCC), and 6-methyl-4-chromanone (6M4C) were determined using an isoperibolic micro-combustion calorimeter. The calorimeter used in the present work has been assembled, calibrated, and tested in our laboratory with the desired results. Prior to the measurement of the energies of combustion, the purities, heat capacities (C p), fusion temperatures (T fus), and enthalpies of melting (Δfus H) for each compound were determined by differential scanning calorimetry. The values of the energies of combustion were used to derive standard molar enthalpies of combustion ( \( \Delta _{{\text{c}}} H_{{\text{m}}}^{\circ } \) ) and standard molar enthalpies of formation ( \( \Delta _{{\text{f}}} H_{{\text{m}}}^{\circ } \) ) in the crystalline phase at T = 298.15 K. The values found for the \( \Delta _{{\text{f}}} H_{{\text{m}}}^{\circ } \) of C3CA, 6MCC, and 6M4C were ?(619.5 ± 2.6), ?(656.2 ± 2.2), and ?(308.9 ± 3.0) kJ mol?1, respectively. 相似文献
992.
Adriana Fuliaş Gabriela Vlase Titus Vlase Daniela Oneţiu Nicolae Doca Ionuţ Ledeţi 《Journal of Thermal Analysis and Calorimetry》2014,118(2):1033-1038
The thermal behaviour of vitamins B1, B2 and B6 under non-isothermal conditions and dynamic air atmosphere was studied. According to our study, it was determined that the most stable compound is vitamin B2. A kinetic analysis of the thermodegradation process using four different data processing methods (Friedman, Flynn–Wall–Ozawa, Kissinger–Akahira–Sunose and modified NPK) was performed. The NPK was the only method that made it possible to evaluate the contribution to the reaction rate of the temperature and conversion, respectively. The results obtained from kinetic analysis were corroborated with the molecular architecture of the studied compounds. 相似文献
993.
Dr. Wai‐Lun Man Jianhui Xie Po‐Kam Lo Dr. William W. Y. Lam Dr. Shek‐Man Yiu Dr. Kai‐Chung Lau Prof. Tai‐Chu Lau 《Angewandte Chemie (International ed. in English)》2014,53(32):8463-8466
Exploring new reactivity of metal nitrides is of great interest because it can give insights to N2 fixation chemistry and provide new methods for nitrogenation of organic substrates. In this work, reaction of a (salen)ruthenium(VI) nitrido complex with various alkynes results in the formation of novel (salen)ruthenium(III) imine complexes. Kinetic and computational studies suggest that the reactions go through an initial ruthenium(IV) aziro intermediate, followed by addition of nucleophiles to give the (salen)ruthenium(III) imine complexes. These unprecedented reactions provide a new pathway for nitrogenation of alkynes based on a metal nitride. 相似文献
994.
Thiazole‐Based γ‐Building Blocks as Reverse‐Turn Mimetic to Design a Gramicidin S Analogue: Conformational and Biological Evaluation
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Dr. Baptiste Legrand Loïc Mathieu Aurélien Lebrun Soahary Andriamanarivo Prof. Vincent Lisowski Dr. Nicolas Masurier Dr. Séverine Zirah Prof. Young Kee Kang Prof. Jean Martinez Dr. Ludovic T. Maillard 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(22):6713-6720
This paper describes the ability of a new class of heterocyclic γ‐amino acids named ATCs (4‐amino(methyl)‐1,3‐thiazole‐5‐carboxylic acids) to induce turns when included in a tetrapeptide template. Both hybrid Ac‐Val‐(R or S)‐ATC‐Ile‐Ala‐NH2 sequences were synthesized and their conformations were studied by circular dichroism, NMR spectroscopy, MD simulations, and DFT calculations. It was demonstrated that the ATCs induced highly stable C9 pseudocycles in both compounds promoting a twist turn and a reverse turn conformation depending on their absolute configurations. As a proof of concept, a bioactive analogue of gramicidin S was successfully designed using an ATC building block as a turn inducer. The NMR solution structure of the analogue adopted an antiparallel β‐pleated sheet conformation similar to that of the natural compound. The hybrid α,γ‐cyclopeptide exhibited significant reduced haemotoxicity compared to gramicidin S, while maintaining strong antibacterial activity. 相似文献
995.
Stereochemistry and Conformation of Skyllamycin,a Non‐Ribosomally Synthesized Peptide from Streptomyces sp. Acta 2897
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Dipl.‐Chem. Vivien Schubert Dr. Florent Di Meo Dr. Pierre‐Loïc Saaidi Dr. Stefan Bartoschek Prof. Dr. Hans‐Peter Fiedler Prof. Dr. Patrick Trouillas Prof. Dr. Roderich D. Süssmuth 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(17):4948-4955
Skyllamycin is a non‐ribosomally synthesized cyclic depsipeptide from Streptomyces sp. Acta 2897 that inhibits PDGF‐signaling. The peptide scaffold contains an N‐terminal cinnamoyl moiety, a β‐methylation of aspartic acid, three β‐hydroxylated amino acids and one rarely occurring α‐hydroxy glycine. With the exception of α‐hydroxy glycine, the stereochemistry of the amino acids was assigned by comparison to synthetic reference amino acids applying chiral GC‐MS and Marfey‐HPLC analysis. The stereochemistry of α‐hydroxy glycine, which is unstable under basic and acidic conditions, was determined by conformational analysis, employing a combination of data from NOESY‐NMR spectroscopy, simulated annealing and free MD simulations. The simulation procedures were applied for both R‐ and S‐configured α‐hydroxy glycine of the skyllamycin structure and compared to the NOESY data. Both methods, simulated annealing and free MD simulations independently support S‐configured α‐hydroxy glycine thus enabling the assignment of all stereocenters in the structure of skyllamycin and devising the role of two‐component flavin dependent monooxygenase (Sky39) as S‐selective. 相似文献
996.
Robert Malmberg Dr. Tobias von Arx Monirul Hasan Dr. Olivier Blacque Atul Shukla Dr. Sarah K. M. McGregor Prof. Shih-Chun Lo Prof. Ebinazar B. Namdas Prof. Koushik Venkatesan 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(25):7265-7274
N-Heterocyclic carbene (NHC) cyclometalated gold(III) complexes remain very scarce and therefore their photophysical properties remain currently underexplored. Moreover, gold(III) complexes emitting in the blue region of the electromagnetic spectrum are rare. In this work, a series of four phosphorescent gold(III) complexes was investigated bearing four different NHC monocyclometalated (C^C*)-type ligands and a dianionic (N^N)-type ancillary ligand ((N^N)=5,5’-(propane-2,2-diyl)bis(3-(trifluoromethyl)-1 H-pyrazole) (mepzH2)). The complexes exhibit strong phosphorescence when doped in poly(methyl methacrylate) (PMMA) at room temperature, which were systematically tuned from sky-blue [λPL=456 nm, CIE coordinates: (0.20, 034)] to green [λPL=516 nm, CIE coordinates: (0.31, 0.54)] by varying the monocyclometalated (C^C*) ligand framework. The complexes revealed high quantum efficiencies (ϕPL) of up to 43 % and excited-state lifetimes (τ0) between 15–266 μs. The radiative rate constant values found for these complexes (kr=103–104 s−1) are the highest found in comparison to previously known best-performing monocyclometalated gold(III) complexes. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations of these complexes further lend support to the excited-state nature of these complexes. The calculations showed a significant contribution of the gold(III) metal center in the lowest unoccupied molecular orbitals (LUMOs) of up to 18 %, which was found to be unique for this class of cyclometalated gold(III) complexes. Additionally, organic light-emitting diodes (OLEDs) were fabricated by using a solution process to provide the first insight into the electroluminescent (EL) properties of this new class of gold(III) complexes. 相似文献
997.
Carmen I. Fort Mihai M. Rusu Liviu C. Cotet Adriana Vulpoi Ileana Florea Sandrine Tuseau-Nenez Monica Baia Mihaela Baibarac Lucian Baia 《Molecules (Basel, Switzerland)》2021,26(1)
Multifunctional Bi- and Fe-modified carbon xerogel composites (CXBiFe), with different Fe concentrations, were obtained by a resorcinol–formaldehyde sol–gel method, followed by drying in ambient conditions and pyrolysis treatment. The morphological and structural characterization performed by X-ray diffraction (XRD), Raman spectroscopy, N2 adsorption/desorption porosimetry, scanning electron microscopy (SEM) and scanning/transmission electron microscopy (STEM) analyses, indicates the formation of carbon-based nanocomposites with integrated Bi and Fe oxide nanoparticles. At higher Fe concentrations, Bi-Fe-O interactions lead to the formation of hybrid nanostructures and off-stoichiometric Bi2Fe4O9 mullite-like structures together with an excess of iron oxide nanoparticles. To examine the effect of the Fe content on the electrochemical performance of the CXBiFe composites, the obtained powders were initially dispersed in a chitosan solution and applied on the surface of glassy carbon electrodes. Then, the multifunctional character of the CXBiFe systems is assessed by involving the obtained modified electrodes for the detection of different analytes, such as biomarkers (hydrogen peroxide) and heavy metal ions (i.e., Pb2+). The achieved results indicate a drop in the detection limit for H2O2 as Fe content increases. Even though the current results suggest that the surface modifications of the Bi phase with Fe and O impurities lower Pb2+ detection efficiencies, Pb2+ sensing well below the admitted concentrations for drinkable water is also noticed. 相似文献
998.
Júlia Karla A. M. Xavier Talissa Gabriele C. Baia Oscar Victor C. Alegria Pablo Luis B. Figueiredo Adriana R. Carneiro Edith Cibelle de O. Moreira Jos Guilherme S. Maia William N. Setzer Joyce Kelly R. da Silva 《Molecules (Basel, Switzerland)》2022,27(21)
Cinnamomum verum (Lauraceae), also known as “true cinnamon” or “Ceylon cinnamon” has been widely used in traditional folk medicine and cuisine for a long time. The systematics of C. verum presents some difficulties due to genetic variation and morphological similarity between other Cinnamomum species. The present work aimed to find chemical and molecular markers of C. verum samples from the Amazon region of Brazil. The leaf EOs and the genetic material (DNA) were extracted from samples cultivated and commercial samples. The chemical composition of the essential oils from samples of C. verum cultivated (Cve1-Cve5) and commercial (Cve6-c-Cv9-c) was grouped by multivariate statistical analysis of Principal Component Analysis (PCA). The major compounds were rich in benzenoids and phenylpropanoids, such as eugenol (0.7–91.0%), benzyl benzoate (0.28–76.51%), (E)-cinnamyl acetate (0.36–32.1%), and (E)-cinnamaldehyde (1.0–19.73%). DNA barcodes were developed for phylogenetic analysis using the chloroplastic regions of the matK and rbcL genes, and psbA-trnH intergenic spacer. The psbA-trnH sequences provided greater diversity of nucleotides, and matK confirmed the identity of C. verum. The combination of DNA barcode and volatile profile was found to be an important tool for the discrimination of C. verum varieties and to examine the authenticity of industrial sources. 相似文献
999.
1000.
Adriana Nenciu 《Journal of Algebra》2009,321(4):1107-1131
Two character tables of finite groups are isomorphic if there exist a bijection for the irreducible characters and a bijection for the conjugacy classes that preserve all the character values. In this paper we classify up to isomorphism the character tables of p-groups with derived subgroup of prime order via a combinatorial object independent of the prime p. 相似文献