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391.
392.
Dr. Rabi Chhantyal-Pun Dr. Max R. McGillen Dr. Joseph M. Beames Dr. M. Anwar H. Khan Dr. Carl J. Percival Prof. Dudley E. Shallcross Prof. Andrew J. Orr-Ewing 《Angewandte Chemie (International ed. in English)》2017,56(31):9044-9047
The rate coefficients for gas-phase reaction of trifluoroacetic acid (TFA) with two Criegee intermediates, formaldehyde oxide and acetone oxide, decrease with increasing temperature in the range 240–340 K. The rate coefficients k(CH2OO + CF3COOH)=(3.4±0.3)×10−10 cm3 s−1 and k((CH3)2COO + CF3COOH)=(6.1±0.2)×10−10 cm3 s−1 at 294 K exceed estimates for collision-limited values, suggesting rate enhancement by capture mechanisms because of the large permanent dipole moments of the two reactants. The observed temperature dependence is attributed to competitive stabilization of a pre-reactive complex. Fits to a model incorporating this complex formation give k [cm3 s−1]=(3.8±2.6)×10−18 T2 exp((1620±180)/T) + 2.5×10−10 and k [cm3 s−1]=(4.9±4.1)×10−18 T2 exp((1620±230)/T) + 5.2×10−10 for the CH2OO + CF3COOH and (CH3)2COO + CF3COOH reactions, respectively. The consequences are explored for removal of TFA from the atmosphere by reaction with biogenic Criegee intermediates. 相似文献
393.
Dr. Shaik Anwar Wan‐Yun Huang Chih‐Hao Chen You‐Song Cheng Prof. Dr. Kwunmin Chen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(13):4344-4351
Substituted naphthofurans and benzofurans are easily accessible by treatment of naphthols/substituted phenols with nitroallylic acetates through a substitution–elimination process promoted by cesium carbonate. Reactions between naphthols and aromatic/heteroaromatic‐substituted nitroallylic acetates gave the desired functionalized naphthofurans in high to excellent chemical yields (14–97 %). On the other hand, treatment of phenol derivatives (i.e., 3‐dimethylamino‐, 3‐methoxy‐, and 3,5‐dimethoxyphenol) with various nitroallylic acetates afforded the corresponding benzofurans in moderate to good chemical yields (24–91 %). The reaction proceeded through an interesting Friedel–Crafts SN2′ process followed by intramolecular oxa‐Michael cyclization and subsequent aromatization. A plot of log (k/kH) against Hammett constants σp showed satisfactory linearity with a positive ρ value, indicating that the initial Friedel–Crafts‐type SN2′ process constituted the rate‐determining step. This methodology has been applied to the synthesis of various novel C2 and C3 symmetric bis‐ and trisfurans by using catechol and phloroglucinol as the nucleophilic partners. The reactivity decreased when alkyl‐substituted nitroallylic acetate systems were used. This might be related to the decreased electrophilic character of these substrates. 相似文献
394.
Steroidal ketone thiosemicarbazones (4–6), obtained from the corresponding ketones(1–3), on oxidative cyclization with H2O2 at 0°C provide title compounds (7–9), respectively. The structures of these compounds have been established on the basis of their elemental analytical and spectral data. 相似文献
395.
The electronic and optical properties of tetragonal barium titanate (BaTiO3) have been investigated by use of first-principles density functional theory on a plane wave basis, by use of norm-conserving pseudopotentials in the localized density approximation. For accuracy, experimental lattice parameters reported in the literature were used. The band structure, total and partial density of states (DOS), and Born effective charges of tetragonal BaTiO3 were obtained from first-principles calculations. The partial DOS and Born effective charges indicate that the Ti–O bonds are partially covalent and the Ba–O bonds are partially ionic. The complex dielectric functions for ordinary and extraordinary optical polarization were calculated, and were in reasonable agreement with those from previous first-principles calculations. The refractive index, extinction coefficient, reflectivity, and energy-loss spectrum for both types pf polarization were calculated from the complex dielectric function; the results obtained were an improvement on other published results. 相似文献
396.
Anwar Al-Yatama 《Photonic Network Communications》2014,27(1):34-46
One of the most important performance measurements in wavelength-division multiplexing (WDM) networks is the call blocking probability. In this paper, we present an approximate analytical method to evaluate the blocking probabilities in survivable WDM networks with dynamically arriving connection requests. Our approach utilizes the wavelength independence whereby WDM network can be regarded as an aggregation of disjoint single wavelength sub-networks with a common physical topology. In each single wavelength sub-network, we derive the calculation of the blocking probability from an exact analysis. We assume dedicated protection with fixed routing and either first-fit or random wavelength assignment. Simulation results demonstrate the accuracy of the proposed method. 相似文献
397.
Shabir G Anwar F Sultana B Khalid ZM Afzal M Khan QM Ashrafuzzaman M 《Molecules (Basel, Switzerland)》2011,16(9):7302-7319
This paper describes the antioxidant and antimicrobial activities and phenolic components of different solvent (absolute methanol, absolute ethanol, absolute acetone, 80% methanol, 80% ethanol, 80% acetone and deionized water) extracts of leaves, flowers and bark of Gold Mohar [Delonix regia (Bojer ex Hook.) Raf.]. The extract yields from leaves, flowers and bark ranged from 10.19 to 36.24, 12.97 to 48.47 and 4.22 to 8.48 g/100 g dry weight (DW), respectively. Overall, 80% methanol extract produced from the leaves exhibited significantly (P < 0.05) higher antioxidant activity, with high phenolic contents (3.63 g GAE/100 g DW), total flavonoid contents (1.19 g CE/100 g DW), inhibition of peroxidation (85.54%), DPPH scavenging capacity (IC(50) value 8.89 μg/mL) and reducing power (1.87). Similarly, this 80% methanol leaves extract also showed superior antimicrobial activity. HPLC analysis of the 80% methanol extracts for individual phenolics revealed the presence of gallic, protocatechuic and salicylic acid in leaves; gallic, protocatechuic, salicylic, trans-cinnamic and chlorogenic acid in flowers, and gallic acid in bark as the main (amount > 1.50 mg/100 g DW) phenolic acids. Besides, small amounts ( < 1.50 mg/100 g DW) of some other phenolic acids such as sorbic, sinapic, p-coumaric, m-coumaric, ferulic, caffeic, 3-hydroxybenzoic, 4-hydroxycinnamic and 4-hydroxybenzoic acids were also detected. The extracts of the tested parts of Gold Mohar, especially, the leaves, might be valuable for functional food and therapeutic applications. 相似文献
398.
Brazard J Usman A Lacombat F Ley C Martin MM Plaza P 《The journal of physical chemistry. A》2011,115(15):3251-3262
The ultrafast photophysics of oxidized and reduced flavin adenine dinucleotide (FAD) in aqueous solution was studied by broadband UV-vis femtosecond transient absorption spectroscopy. We observed that oxidized FAD (FAD(ox)) in solution readily aggregates at submillimolar concentration. Upon excitation of FAD(ox), three excited-state lifetimes were found and assigned to three different species: the closed (stacked) conformation of the monomer (~5.4 ps), the open (extended) conformation of the monomer (~2.8 ns), and the dimer (~27 ps). In the case of the stacked conformation of the monomer, we show that intramolecular electron transfer from the adenine to the isoalloxazine ring occurs with a time constant of 5.4 ps and is followed by charge recombination on a faster time scale, namely, 390 fs. We additionally demonstrate that deprotonated reduced flavin (FADH(-)) undergoes biphotonic ionization under high excitation fluence and dissociates into a hydrated electron and the neutral semiquinone radical FADH(?). 相似文献
399.
Javeed Akhtar Naeema Khan Shahabuddin Memon Zaman Ashraf Ghulam Abbas M. Usman Anwar 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(12):1627-1638
New substituted and unsubstituted phenol based mesogene series having an azo central linkage was synthesized by fixing phenol as rigid core unit with aromatic amine. The terminal –OH group was esterified successively by long alkyl chain acid chloride of variable length (n=2, 6, 11, 15, 17). All 25 synthesized compounds exhibit mesomorphism. The effect of side chain length and substituents on the stability of liquid crystals was studied. The study reveals that nitro substituent destabilizes nematic and smectic phases more than floro substituent. Furthermore, the transition temperature decreases as the length of side chain increases. 相似文献
400.
Mostak Ahmed Mubarak A. Khan Md. Rezwan Miah Syed Abdul Monim M. Anwar H. Khan 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(11):927-936
Polyethyleneterephthalate (PET) based proton exchange membrane for using in fuel cells was successfully prepared by gamma radiation-induced graft copolymerization of styrene monomer onto PET film and the consequent selective sulfonation of the grafting chain in the film state using chlorosulfonic acid (ClSO3H). The effects of grafting conditions (e.g., monomer concentration, irradiation dose) on the degree of grafting and sulfonation condition (e.g., optimum concentration of ClSO3H) on the degree of sulfonation were studied. The degree of grafting, the degree of sulfonation and the physico-chemical properties (such as, water uptake, mechanical strength, thermal durability, hydrolytic stability, oxidative stability) of the gamma radiation-induced grafted membrane were found to be better when compared to those of the UV-radiation grafted membrane. The membrane shows higher ion exchange capacity (0.9 mmol g?1) and higher proton conductivity (0.075 S cm?1), similar to those of Nafion membrane. 相似文献