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961.
Hasan M. El Ghanem Saa’Di Abdul Jawad Yazan A. Hussain Adnan S. Abu-Surrah 《Journal of Macromolecular Science: Physics》2014,53(5):878-892
Impedance spectroscopy was utilized to investigate the dielectric properties, ac conductivity and charge transport mechanisms in propylene-alt-CO/ethylene-alt-CO (EPEC) random terpolymer filled with multi-walled carbon nanotubes (MWCNT) as a function of nanofiller content, frequency, and temperature. Equivalent resistor-capacitor (RC) circuit models were proposed to describe the impedance characteristics of the unfilled terpolymer and the nanocomposite at different temperatures. For the nanocomposites, the ac conductivity tended to be frequency independent at low frequencies. At high frequencies, the ac conductivity increased with frequency. The dc conductivity (i.e., plateau of the ac conductivity at low frequencies) at room temperature increased from 10?9 (Ω·m)?1 for the unfilled polymer to l0?3 (Ω·m)?1 for the 6 wt% MWCNT/EPEC nanocomposite. At low temperatures, the equivalent RC model for EPEC-0 and EPEC-2 was found to consist of a parallel RC circuit. However, for 6 wt% MWCNT/EPEC nanocomposite, an RC model consisting of an R/constant phase element (CPE) circuit and a resistor in series was required to describe the impedance behavior of the nanocomposite. 相似文献
962.
Pure and thiourea substituted single crystals of ammonium di-hydrogen phosphate have been grown from aqueous solution by isothermal solvent evaporation technique. Doped crystal exhibits prominent changes in physical and chemical properties. Single crystal XRD analyses of the samples are carried out and the results are compared. FTIR and UV–vis–NIR spectral analyses have been employed to identify the presence of various functional groups and the UV cut-off range in the grown crystals. Density measurements have been made and Photoconductivity studies revealed the negative photo conducting nature. Hardness measurement shows that the mechanical strength of the doped crystal is high when compared to pure ammonium di-hydrogen phosphate. The dielectric response of the samples has been studied in the frequency range 100 Hz–5 MHz at room temperature and the results are discussed. 相似文献
963.
针对六角密堆金属锂16个原子超晶胞(supercell)、填隙一个氢原子的周期单元,采用基于密度泛函理论的平面波-赝势方法,研究了零温条件下压力及填隙氢掺杂对体系弹性性质的影响.结果表明氢掺杂导致体系的体模量增加.常压下掺杂体系的弹性常数C11,C33,C66和C12高于单质体系,剪切模量C44有所下降,而C13则与单质体系持平.压力作用下C11,C33和C66一直大于单质体系,但C12的值低于单质体系.在2GPa—4GPa压力区间内,弹性常数C13呈反常变化,小于单质体系;在高压区掺杂体系的C44和C13则高于单质体系的相应量值,压力导致掺杂体系和单质体系之间剪切模的偏离加剧.掺杂体系在压力作用下依然保持压缩模的各向同性,具有和单质体系相似的特性.
关键词:
第一性原理
压力效应
弹性常数
金属锂 相似文献
964.
965.
On the basis of the double-well ratchet potential which can be calculated theoretically and implemented experimentally, the influences of the time delay, the coupling constant, and the asymmetric parameter of the potential on the performance of a delayed feedback ratchet consisting of two Brownian particles coupled mutually with a linear elastic force are investigated. The centre-of-mass velocity of two coupled Brownian particles, the average effective diffusion coefficient, and the Pe number are calculated. It is found that the parameters are affected by not only the time delay and coupling constant but also the asymmetric parameter of the double-well ratchet potential. It is also found that the enhancement of the current may be obtained by varying the coupling constant of the system for the weak coupling case. It is expected that the results obtained here may be observed in some physical and biological systems. 相似文献
966.
Molecular constants of LiCl(X~1Σ~+) and elastic collisions of two ground-state Cl and Li atoms at low and ultralow temperatures 下载免费PDF全文
Interaction potentials for LiCl(X 1 Σ +) are constructed by the highly accurate valence internally contracted mul-tireference configuration interaction in combination with a number of large correlation-consistent basis sets,which are used to determine the spectroscopic parameters (D 0,D e,R e,ω e,ω e χ e,B e and α e).The potentials obtained at the basis sets,i.e.,aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li,are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0×10 12 to 1.0×10 4 a.u.The derived total elastic cross sections are very large and almost constant at ultralow temperatures,and their shapes are mainly dominated by the s-partial wave at very low impact energies.Only one shape resonance can be found in the total elastic cross sections over the present collision energy regime,which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves.Abundant resonances exist for the elastic partial-wave cross sections until l=22 partial waves.The vibrational manifolds of the LiCl(X 1 Σ +) molecule,which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl,should achieve much high accuracy due to the employment of the large correlation-consistent basis sets. 相似文献
967.
采用反应射频磁控溅射方法,在Si (100) 基片上制备了具有高c轴择优取向的ZnO薄膜.利用 原子力显微镜、透射电子显微镜、X射线衍射分析、拉曼光谱等表征技术,研究了沉积温度 对ZnO薄膜的表面形貌、晶粒尺度、应力状态等结晶性能的影响;通过沉积温度对透射光谱 和光致荧光光谱的影响,探讨了ZnO薄膜的结晶特性与光学性能之间的关系.研究结果显示, 在室温至500℃的范围内,ZnO薄膜的晶粒尺寸随沉积温度的增加而增加,在沉积温度为500 ℃时达到最大;当沉积温度为750℃时,ZnO薄膜的晶粒尺度有所减小;在室温至750℃的范 围内,薄膜中ZnO晶粒与Si基体之间均存在着相对固定的外延关系;在沉积温度低于500℃时 ,制备的ZnO薄膜处于压应变状态,而750℃时沉积的薄膜表现为张应变状态.沉积温度的不 同导致ZnO薄膜的折射率、消光系数、光学禁带宽度以及光致荧光特性的变化,沉积温度对 紫外光致荧光特性起着决定性的作用.此外,探讨了影响薄膜近紫外光致荧光发射的可能因 素.
关键词:
ZnO薄膜
表面形貌
微观结构
光学常数 相似文献
968.
Elastic stability and electronic structure of low energy tetragonal and monoclinic PdN2 and PtN2 下载免费PDF全文
This paper studies the elastic and electronic structure properties of two new low-energy structures of PdN2 and PtN2 by first-principles calculations.It finds that tetragonal and monoclinic structures are more stable than a pyrite one.The always positive eigenvalues of the elastic constant matrix confirm that both the tetragonal and monoclinic structures are elastically stable.The origin of the low bulk modulus of the two structures is discussed.The results of the calculated density of states show that both of the two low-energy structures are metallic. 相似文献
969.
970.
Sreelekha D. Bhattamisra Sanjukta Tripathy 《Monatshefte für Chemie / Chemical Monthly》1991,122(1-2):27-30
Summary The kinetics ofEDTA reaction with N,N-ethylenedisalicylamidato cuprate(II) is followed at 30°C in borate buffer and is found to be first order in each reactant. The reaction ispH dependent and involves protonation of a deprotonated peptide nitrogen followed by nucleophilic attack byEDTA.
Kinetik derEDTA-Substitution von N,N-Ethylendisalizylamidatokupfer(II) in alkalischem Medium (Kurze Mitt.)
Zusammenfassung Die Kinetik derEDTA-Reaktion mit N,N-Ethylendisalizylamidatokupfer(II) wurde bei 30°C in Borat-Puffer verfolgt. Es wurde erste Ordnung bezüglich jedes Reaktanden festgestellt. DiepH-abhängige Reaktion beinhaltet die Protonierung eines deprotonierten Peptid-Stickstoffs, gefogt von einem nucleophilen Angriff einesEDTA-Moleküls.相似文献