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51.
Bahare Sadeghi Far Gholamhossein Grivani Aliakbar Dehno Khalaji Mahdi Khorshidi Václav Eigner Michal Dušek 《Journal of Cluster Science》2017,28(6):3217-3227
New centrosymmetric trinuclear zinc(II) complex {[Zn(μ-ONN)(μ2-O)(μ-OO)]2Zn} has been synthesized by the reaction of a potentially ONN tridentate Schiff base ligand, and N,N-dimethylethylendiamin, with Zn(OAc)2·2H2O in methanol, in the refluxed conditions and characterized by elemental analysis, FT-IR and UV–Vis spectroscopy. Single crystal X-ray structure analysis reveals a trinuclear complex {[Zn(μ-ONN)(μ2-O)(μ-OO)]2Zn} with zinc(II) ions connected by three different bridges, (μ-ONN) of the Schiff base ligand, μ2-O and μ-OO of the acetate. The complex is centrosymmetric, with one of the Zn atoms located at the inversion center. While the central Zn(II) ion is six-coordinated, the coordination number of the other Zn(II) ions is five. Finally, the {[Zn(μ-ONN)(μ2-O)(μ-OO)]2Zn} complex was thermally decomposed in air at 700 °C resulted in ZnO nano crystalites with the average size of 42 nm. The antibacterial activity of ligand and its zinc(II) complex were tested against gram-positive and gram-negative bacteria. The ligand showed higher activity than its zinc(II) complex. 相似文献
52.
New Polydentate Trimethylsilyl Chalcogenide Reagents for the Assembly of Polyferrocenyl Architectures 下载免费PDF全文
Mahmood Azizpoor Fard Bahareh Khalili Najafabadi Mahdi Hesari Prof. Dr. Mark S. Workentin Prof. Dr. John F. Corrigan 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(23):7037-7047
A series of polychalcogenotrimethylsilane complexes Ar(CH2ESiMe3)n, (Ar=aryl; E=S, Se; n=2, 3, and 4) can be prepared from the corresponding polyorganobromide and M[ESiMe3] (M=Na, Li). These represent the first examples of the incorporation of such a large number of reactive ?ESiMe3 moieties onto an organic molecular framework. They are shown to be convenient reagents for the preparation of the polyferrocenylseleno‐ and thioesters from ferrocenoyl chloride. The synthesis, structures, and spectroscopic properties of the new silyl chalcogen complexes 1,4‐(Me3SiECH2)2(C6Me4) (E=S, 1 ; E=Se, 2 ), 1,3,5‐(Me3SiECH2)3(C6Me3) (E=S, 3 ; E=Se, 4 ) and 1,2,4,5‐(Me3SiECH2)4(C6H2) (E=S, 5 ; E=Se, 6 ) and the polyferrocenyl chalcogenoesters [1,4‐{FcC(O)ECH2}2(C6Me4)] (E=S, 7 ; E=Se, 8 ), [1,3,5‐{FcC(O)ECH2}3(C6Me3)] (E=S, 9 ; E=Se, 10 ) and [1,2,4,5‐{FcC(O)ECH2}4(C6H2)] (E=S, 11 illustrated; E=Se, 12 ) are reported. The new polysilylated reagents and polyferrocenyl chalcogenoesters have been characterized by multinuclear NMR spectroscopy (1H, 13C, 77Se), electrospray ionization mass spectrometry and, for complexes 1 , 2 , 3 , 4 , 7 , 8 , and 11 , single‐crystal X‐ray diffraction. The cyclic voltammograms of complexes 7 – 11 are presented. 相似文献
53.
The linear 3D piezoelasticity theory in conjunction with the versatile transfer matrix approach and the wave equation for the internal acoustic domain are employed for active non-stationary vibroacoustic response control of an arbitrarily thick, tri-laminate, fluid-filled, simply supported, piezocomposite cylindrical tank, excited by arbitrary (non-axisymmetric) time-dependent on-surface mechanical loads. The smart structure is composed of a supporting core layer of functionally graded orthotropic material perfectly bonded to inner and outer spatially distributed radially polarized functionally graded piezoceramic sensor and uniform force actuator (FGPM) layers. Active vibration damping is implemented by transferring the accumulated voltage on the sensor layer to the piezoelectric actuator layer in context of proportional and derivative control laws. Durbin's numerical inverse Laplace transform scheme is utilized to calculate the time response histories of the relevant interface displacement/stress components, center-point acoustic pressure, and actuator voltage, for selected loading configurations (i.e., concentrated step, impulse, and moving external loads). Numerical simulations demonstrate the effectiveness of the adopted distributed sensing/actuation configuration together with the active damping control strategy in suppressing the vibroacoustic response of a three-layered (Ba2NaNb5O15/Al/PZT4) water-filled piezoelastic cylindrical tank. Limiting cases are considered and the validity of results is established by comparison with the available data as well as with the aid of a commercial finite element package. 相似文献
54.
55.
Time-resolved 2H NMR spectroscopy is used to monitor the progress of and gain kinetic information for a variety of reactions in different ionic media. 相似文献
56.
Back Cover: New Polydentate Trimethylsilyl Chalcogenide Reagents for the Assembly of Polyferrocenyl Architectures (Chem. Eur. J. 23/2014) 下载免费PDF全文
57.
Mahdi Rabbani Yongli Wang Reza Khoshkangini Hamed Jelodar Ruxin Zhao Sajjad Bagheri Baba Ahmadi Seyedvalyallah Ayobi 《Entropy (Basel, Switzerland)》2021,23(5)
Network anomaly detection systems (NADSs) play a significant role in every network defense system as they detect and prevent malicious activities. Therefore, this paper offers an exhaustive overview of different aspects of anomaly-based network intrusion detection systems (NIDSs). Additionally, contemporary malicious activities in network systems and the important properties of intrusion detection systems are discussed as well. The present survey explains important phases of NADSs, such as pre-processing, feature extraction and malicious behavior detection and recognition. In addition, with regard to the detection and recognition phase, recent machine learning approaches including supervised, unsupervised, new deep and ensemble learning techniques have been comprehensively discussed; moreover, some details about currently available benchmark datasets for training and evaluating machine learning techniques are provided by the researchers. In the end, potential challenges together with some future directions for machine learning-based NADSs are specified. 相似文献
58.
The title complexes, the Re(O)L(2)(Solv)(+) complexes (L = hoz, 2-(2'-hydroxyphenyl)-2-oxazoline(-) or thoz, 2-(2'-hydroxyphenyl)-2-thiazoline(-); Solv = H(2)O or CH(3)CN), are effective catalysts for the following fundamental oxo transfer reaction between closed shell molecules: XO + Y --> X + YO. Among suitable oxygen acceptors (Y's) are organic thioethers and phosphines, and among suitable oxo donors (XO's) are pyridine N-oxide (PyO), t-BuOOH, and inorganic oxyanions. One of the remarkable features of these catalysts is their high kinetic competency in effecting perchlorate reduction by pure atom transfer. Oxo transfer to rhenium(V) proceeds cleanly to afford the cationic dioxorhenium(VII) complex Re(O)(2)L(2)(+) in a two-step mechanism, rapid substrate (XO) coordination to give the precursor adduct cis-Re(V)(O)(OX)L(2)(+) followed by oxygen atom transfer (OAT) as the rate determining step. Electronic variations with PyO derivatives demonstrated that electron-withdrawing substituents accelerate the rate of Re(VII)(O)(2)L(2)(+) formation from the precursor adduct cis-Re(V)(O)(OX)L(2)(+). The activation parameters for OAT with picoline N-oxide and chlorate have been measured; the entropic barrier to oxo transfer is essentially zero. The potential energy surface for the reaction of Re(O)(hoz)(2)(OH(2))(+) with PyO was defined, and all pertinent intermediates and transition states along the reaction pathway were located by density functional theory (DFT) calculations (B3LYP/6-31G). In the second half of the catalytic cycle, Re(O)(2)L(2)(+) reacts with oxygen acceptors (Y's) in second-order reactions with associative transition states. The rate of OAT to substrates spans a remarkable range of 0.1-10(6) L mol(-)(1) s(-)(1), and the substrate reactivity order is Ph(3)P > dialkyl sulfides > alkyl aryl sulfides > Ph(2)S approximately DMSO, which demonstrates electrophilic oxo transfer. Competing deactivation and inhibitory pathways as well as their relevant kinetics are also reported. 相似文献
59.
Mahdi Rezaei Sameti 《中国化学》2011,29(2):237-242
13C NMR chemical shifts have been calculated for structures of some substituted 3‐anilino‐2‐nitrobenzo‐[b]thiophenes ( 2 o) and 2‐anilino‐3‐nitrobenzo[b]thiophenes ( 3 o) derivatives containing OH, NH2, OMe, Me, Et, H, F, Cl and Br. The molecular structures were fully optimized using B3LYP/6‐31G(d,p). The calculation of the 13C shielding tensors employed the GAUSSIAN 03 implementation of the gauge‐including atomic orbital (GIAO) and continuous set of gauge transformations (CSGT) by using 6‐311++G(d,p) basis set at density functional levels of theories (DFT). The isotropic and the anisotropy parameters of chemical shielding for all compounds are calculated. The predicted 13C chemical shifts are derived from equation δ=δ0+δ where δ is the chemical shift, δ is the absolute shielding, and δ0 is the absolute shielding of the standard TMS. Excellent linear relationships have been observed between experimental and calculated 13C NMR chemical shifts for all derivatives 相似文献
60.
Facile Protocol for Catalytic Frustrated Lewis Pair Hydrogenation and Reductive Deoxygenation of Ketones and Aldehydes 下载免费PDF全文
Tayseer Mahdi Prof. Dr. Douglas W. Stephan 《Angewandte Chemie (International ed. in English)》2015,54(29):8511-8514
A series of ketones and aldehydes are reduced in toluene under H2 in the presence of 5 mol % B(C6F5)3 and either cyclodextrin or molecular sieves affording a facile metal‐free protocol for reduction to alcohols. Similar treatment of aryl ketones resulted in metal‐free deoxygenation yielding aromatic hydrocarbons. 相似文献