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231.
Mehdi Hatefi-Ardakani Samira Saeednia Zahra Pakdin-Parizi Mahdieh Rafeezadeh 《Research on Chemical Intermediates》2016,42(10):7223-7230
The catalytic activity of dioxidobis{2-[(E)-p-tolyliminomethyl]phenolato}molybdenum(VI) complex was studied, for the first time, in the selective oxidation of various primary and secondary alcohols using tert-BuOOH as oxidant under organic solvent-free conditions at room temperature. The effect of different solvents was studied in the oxidation of benzyl alcohol in this catalytic system. It was found that, under organic solvent-free conditions, the catalyst oxidized various primary and secondary alcohols to their corresponding aldehyde or ketone derivatives with high yield. The effects of other parameters such as oxidant and amount of catalyst were also investigated. Among different oxidants such as H2O2, NaIO4, tert-BuOOH, and H2O2/urea, tert-BuOOH was selected as oxygen donor in the oxidation of benzyl alcohol. Also, it was found that oxidation of benzyl alcohol required 0.02 mmol catalyst for completion. Dioxomolybdenum(VI) Schiff base complex exhibited good catalytic activity in the oxidation of alcohols with tert-BuOOH under mild conditions. In this catalytic system, different primary alcohols gave the corresponding aldehydes in good yields without further oxidation to carboxylic acids. 相似文献
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Sajjad Rashidi Farshad Farzin Mehdi Shanbedi Masoud Rahimipanah Maryam Savari 《Journal of Dispersion Science and Technology》2016,37(9):1277-1286
In order to enhance the thermal properties of turbine oil (TO), three different nanoparticles (CuO, Al2O3, and TiO2) are loaded into the TO. To measure the thermal performance of nanoparticle-based TO nanofluids at laminar flow and under constant heat flux boundary conditions, an experimental setup was applied. The obtained data clearly demonstrate the positive effect of all nanoparticles on the heat transfer rate of TO. As the most important factor, the heat transfer coefficient of the abovementioned two-phase systems is increased upon increasing both the volume concentration and the flow rate. An adaptive neuro-fuzzy inference system (ANFIS) is applied for modeling the effect of critical parameters on the heat transfer coefficient of nanoparticle-TO based nanofluids numerically. The results are compared with experimental ones for training and test data. The results suggest that the developed model is valid enough and promising for predicting the extant of the heat transfer coefficient. R2 and MSE values for all data were 0.990208751 and 108.1150734, respectively. Based on the results, it is obvious that our proposed modeling by ANFIS is efficient and valid, which can be expanded for more general states. 相似文献
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Seyed Mojtaba Amininasab Soheila Esmaili Mehdi Taghavi Zahed Shami 《International Journal of Polymer Analysis and Characterization》2016,21(8):686-696
A series of novel organosoluble polyamides (PAs) bearing different functional groups such as flexible ether, substituted imidazole, and xanthene rings and electron-withdrawing CF3 groups were synthesized from diamines and various dicarboxylic acids. The structures of diamines and PAs were fully characterized by elemental analysis, Fourier transform infrared spectroscopy, and proton nuclear magnetic resonance spectroscopy. The PAs showed good solubility in aprotic and polar organic solvents, with high thermal stability exhibiting the glass transition temperatures (Tgs) and 10% weight loss temperatures (T10%) in the range of 184–277°C and 410–480°C in N2 atmosphere, respectively. These polymers showed fluorescence emission upon irradiation with UV light. Diamine compounds and two of synthesized polymers were also screened for antibacterial activity against gram-positive and gram-negative bacteria, and the obtained results for all four combinations showed good inhibition. Extraction capability for heavy metal ions such as Cr3+, Pb2+, Hg2+, Cd2+, and Co2+ from aqueous solutions was also tested at 25°C and pH 7–8. 相似文献
235.
The role of molecularly imprinted polymers (MIPs) is changing from academic to applied researches. Challenging problems about MIP will be more highlighted in applicable uses and solving these problems is vital. The controlled/“living” radical polymerization (CLRP) techniques are applicable to solve the challenging problems in MIPs. The “living” nature of CLRP helps to improve the heterogeneity of binding sites in MIPs as a main challenge where precise control over sizes, compositions, and surface functionalities is achieved. Among different techniques of CLRP, reversible addition-fragmentation chain transfer (RAFT) technique presents distinguished benefits such as compatibility and tolerance to a wide range of functional monomers and mild reaction conditions rather than other CLRP techniques. In this review, in order to obtain more insights into the potential benefits of RAFT polymerization in fabrication of nano and micro MIP networks, recent research in advanced MIP materials for different templates with improved morphology, efficiency, and binding capacities with respect to traditional free radical polymerization (FRP) will be discussed. MIPs prepared via RAFT method have advantages of MIPs as high performance molecular recognition devices and CLRP as controllable polymerization mechanism, simultaneously. 相似文献
236.
Homonuclear chalcogen–chalcogen bond interactions in complexes pairing YO3 and YHX molecules (Y = S,Se; X = H,Cl, Br,CCH, NC,OH, OCH3): Influence of substitution and cooperativity 下载免费PDF全文
Mehdi D. Esrafili Fariba Mohammadian‐Sabet 《International journal of quantum chemistry》2016,116(7):529-536
MP2/aug‐cc‐pVTZ calculations are performed on complexes of YO3 (Y = S, Se) with a series of electron‐donating chalcogen bases YHX (X = H, Cl, Br, CCH, NC, OH, OCH3). These complexes are formed through the interaction of a positive electrostatic potential region (π‐hole) on the YO3 molecule with the negative region in YHX. Interaction energies of the binary O3Y???YHX complexes are in the range of ?4.37 to ?12.09 kcal/mol. The quantum theory of atoms in molecules and the natural bond orbital analysis were applied to characterize the nature of interactions. It was found that the formation and stability of these binary complexes are ruled mainly by electrostatic effects, although the electron charge transfer from YHX to YO3 unit also seems to play an important role. In addition, mutual influence between the Y???N and Y???Y interactions is studied in the ternary HCN???O3Y???YHX complexes. The results indicate that the formation of a Y???N interaction tends to weaken Y???Y bond in the ternary systems. Although the Y???Y interaction is weaker than the Y???N one, however, both types of interactions seem to compete with each other in the HCN???O3Y???YHX complexes. © 2016 Wiley Periodicals, Inc. 相似文献
237.
Investigation of substituent effects in aerogen‐bonding interaction between ZO3 (Z=Kr,Xe) and nitrogen bases 下载免费PDF全文
Mehdi D. Esrafili Soheila Asadollahi Mahshad Vakili 《International journal of quantum chemistry》2016,116(16):1254-1260
The substituent effects in aerogen bond interactions between ZO3 (Z = Kr, Xe) and different nitrogen bases are studied at the MP2/aug‐cc‐pVTZ level of theory. The nitrogen bases include the sp bases NCH, NCF, NCCl, NCBr, NCCN, NCOH, NCCH3 and the sp3 bases NH3, NH2F, NH2Cl, NH2Br, NH2CN, NH2OH, and NH2CH3. The nature of aerogen bonds in these complexes is analyzed by means of molecular electrostatic potential, electron localization function, quantum theory atoms in molecules, noncovalent interaction index, and natural bond orbital analyses. The interaction energy (Eint) ranges from ?4.59 to ?9.65 kcal/mol in the O3Z···NCX complexes and from ?5.30 to ?13.57 kcal/mol in the O3Z···NH2X ones. The dominant charge‐transfer interaction in these complexes occurs across the aerogen bond from the nitrogen lone‐pair (nN) of the Lewis base to the σ*Z‐O antibonding orbital of the ZO3. Besides, the formation of aerogen bond tends to decrease the 83Kr or 131Xe chemical shielding values in these complexes. © 2016 Wiley Periodicals, Inc. 相似文献
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Alain Estve Adeline Bail Georges Landa Ahmed Dkhissi Marie Brut Mehdi Djafari Rouhani Jan Sudor Anne-Marie Gu 《Chemical physics》2007,340(1-3):12-16
Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior. 相似文献