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31.
Ohne Zusammenfassung 相似文献
32.
Raissi H Yarali A Farzad F Nowroozi A 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2006,63(3):729-739
Fourier transform infrared and Fourier transform Raman spectra of 3-amino-1-phenyl-2-buten-1-one and its deuterated analogue were recorded in the regions 400-4,000 and 150-4,000 cm(-1), respectively. Furthermore, the molecular structure and vibrational frequencies of title compound were investigated by a series of density functional theoretical, DFT, and ab initio calculations at the post-Hartree-Fock (MP2) level. Although, the calculated frequencies are generally in agreement with the observed spectra but the DFT results are in much better quantitative agreement with the observed spectra than the MP2 results. The observed wavenumbers were analyzed and assigned to different normal modes of vibration of the molecule. The calculated geometrical parameters show a strong intramolecular hydrogen bond with a N...O distance of 2.621-2.668 A. This bond length is shorter than that of its parent, 4-amino-3-penten-2-one (with two methyl groups in the beta-position), which is in agreement with spectroscopic results. The topological properties of the electron density contributions for intramolecular hydrogen bond in 3-amino-1-phenyl-2-buten-1-one and 4-amino-3-penten-2-one have been analyzed in term of the Bader theory of atoms in molecules (AIM). These results also support the stronger hydrogen bond in the title compound with respect to the parent molecule. 相似文献
33.
Encapsulation of fullerene into nanotubes based on a C2N sheet, known as nitrogenated holey graphene, was investigated using density functional theory. The structural and electronic properties of these carbon hybrid materials, consisting of nitrogenated holey nanotubes and a small C20 fullerene, were studied. The formation energies showed that encapsulation of the fullerene into the nitrogenated holey nanotube is an exothermic process. To characterise the electronic properties, the electronic band structure and density of states of armchair and zigzag nitrogenated holey nanotubes were calculated. Filling these nanotubes with the C20 fullerene resulted in a p-type semiconducting character. The energy band gap of the nitrogenated holey nanotubes decreased with fullerene encapsulation. The results are indicative of the possibility of band gap engineering by encapsulation of small fullerenes into nitrogenated holey nanotubes. 相似文献
34.
Lucile Chatelain Radmila Faizova Farzaneh Fadaei‐Tirani Jacques Pcaut Marinella Mazzanti 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(10):3053-3058
Herein we report the assembly of large uranium(IV) clusters with novel nuclearities and/or shapes from the controlled hydrolysis of UCl4 in organic solution and in the presence of the benzoate ligands. {U6}, {U13}, {U16}, {U24}, {U38} oxo and oxo/hydroxo clusters were isolated and crystallographically characterized. These structural snapshots indicate that larger clusters are slowly built from the condensation of octahedral {U6} building blocks. The uranium/benzoate ligand ratio, the reaction temperature and the presence of base play an important role in determining the structure of the final assembly. Moreover, the isolation of different size cluster {U6} (few hours), {U16} (3 days), {U24} (21 days) from the same solution in a chosen set of conditions shows that the assembly of uranium oxo clusters in hydrolytic conditions is time dependent. 相似文献
35.
Nanosphere lithography (NSL) masks were created by spin-coating of polystyrene particles onto silicon surfaces. Fluorinated hydrocarbon films were coated on the nanosphere lithography masks using plasma-enhanced chemical vapor deposition (PECVD) to obtain ordered arrays of fluorinated hydrocarbon. Atomic force microscope images show hexagonally ordered nanodots of dimension 225 ± 11 nm with a height of 23 ± 4 nm. Every hexagon encloses a circular ring of diameter 540 ± 24 nm having a height and width of 13.5 ± 0.6 nm and 203 ± 16 nm, respectively. FTIR analysis shows two distinct zones of atomic bonding of CHx and CFx in the plasma coated ordered fluorinated hydrocarbon films. 相似文献
36.
37.
Zolfigol Mohammad Ali Sajjadifar Sami Ghorbani-Choghamarani Arash Tami Farzaneh 《Research on Chemical Intermediates》2018,44(11):7093-7106
Research on Chemical Intermediates - 3-[(3-(Trisilyloxy)propyl)chloride]-1-methylimidazolium tribromide ionic liquid supported on MCM-41 [nano-MCM-41@(CH2)3-1-methylimidazole]Br3 as a novel... 相似文献
38.
Sadjadi Samahe Heravi Majid M. Zadsirjan Vahideh Farzaneh Vahid 《Research on Chemical Intermediates》2018,44(11):6765-6785
Research on Chemical Intermediates - SBA/hydrotalcite/heteropolyacid nanocomposite is synthesized via a novel procedure in which the as-prepared heteropolyacid-loaded SBA-15 was impregnated with... 相似文献
39.
Mohammadgholi Mohsen Rezazadeh Farzaneh Abediankenari Saeid Abedi Seyed Mohammad Emrarian Iman Jafari Narjes Behzadi Ramezan Sadeghzadeh Nourollah 《Journal of Radioanalytical and Nuclear Chemistry》2018,316(2):595-607
Journal of Radioanalytical and Nuclear Chemistry - In this study, we introduce a new 99mTc-radiolabeled bombesin derivative for imaging of prostate cancer (PC). We used 6-hydrazinonicotinamide... 相似文献
40.
The word population is growing on a daily basis; consequently, the growth of commute and transport, developing efficient and intelligent transportation systems (ITS), has become one of the most popular requirements and the most significant attempts in modern urban areas containing large population. A key component of intelligent transportation systems is a vehicular ad hoc network. Devising internet‐based practical programs such as awareness of climatic conditions, geographical location, practical programs like on‐line payment services in the vehicular ad hoc network has led to safer driving, prevention of deadly accidents, transportation improvement, more welfare and convenience for passengers, and even offering more commercial opportunities. The special features of vehicular ad hoc network, such as intense activity, constantly‐changing topology, the vehicles' high speed, etc, will lead to challenges in gaining security. Therefore, providing vehicular ad hoc networks with security is of extreme importance in terms of users' anonymity, identification, and data privacy. In this paper, a security model is presented using a method based on evolutionary games. This method, in every vehicle, is applied as a node in the network while interacting with other vehicles; it aims at distinguishing some common attacks and defending against attackers. In this method, defending (honest) vehicles and attacking vehicles take part in an asymmetrical game; each vehicle aims at gaining the most utility and achieving its goals. The proposed method is simulated using various scenarios. The simulation results reveal that the proposed method is efficient and it reaches equilibrium and convergence at the end of the game in each scenario. 相似文献