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141.
A new Schiff base complex, CoL(ClO4)·3H2O (1) {L represents condensed from equal molar ratio of sali-cylaldehyde and diethylenetriamine} was synthesized and characterized. Further, a new coordination polymer, {[CoL][FeⅡFeⅢ(ox)3·1.5H2O]}∞ (2), was synthesized and characterized, where ox2-=oxalate. The results of the IR and M?ssbauer spectra of 2 revealed that the coordination polymer exists 2-D layer structure in the solid state, and anions layer was formed by [ⅡFeⅢ(ox)3]- unit. The magnetic properties of 2 have been measured and the results indicate that there is magnetic ordering in the low temperature, which may arise from intermolecular ferromagnetic interactions or spin canted effects. 相似文献
142.
合成和表征了一种新的Schiff碱配合物MnL(ClO4)*3H2O(1)(其中L为n(水杨醛)∶n(二乙撑三胺)=1∶1缩合而成的Schiff碱).1与FeSO4*7H2O和K3[Fe(ox)3]*3H2O(ox=oxalate)进一步反应,生成了双金属层状配位聚合物{[MnL][FeⅡFeⅢ(ox)3]*1.5H2O}∞(2).IR和Mssbauer谱测定结果表明,2具有二维层状结构,其阴离子层由[FeⅡFeⅢ(ox)3]-单元构成.变温磁化率(5K~100K)测试结果表明,2中的自旋载体之间存在反铁磁交换作用.5K时的磁滞现象表明2在低温时可能存在铁磁有序,这可能是亚铁磁或自旋倾斜造成的. 相似文献
143.
Valentina Domenici Carlo Alberto Veracini Katalin Fodor-Csorba Giacomo Prampolini Ivo Cacelli Andrjia Lebar Bostjan Zalar 《Chemphyschem》2007,8(16):2321-2330
The orientational properties of the banana-shaped liquid crystal 4-chloro-1,3-phenylenebis{4-[4'-(10-undecenyloxy)]benzoyloxy} benzoate (ClPbis11BB) are reported in the nematic phase under the effect of an external magnetic field. A new hypothesis, which states that the central ring of the aromatic core is oriented perpendicularly to the external magnetic field, is proposed. In support of this hypothesis, a series of studies based on (2)H NMR spectroscopy, both in the bulk and in solution, are discussed. (2)H NMR measurements on three selectively deuterium-labelled isotopomers are presented, together with DFT results from B3LYP/cc-pvDz calculations performed on the aromatic core. The rather flat shape of the investigated intramolecular energy surface allows for several different conformations to be populated, the computed magnetic susceptibilities of which are consistent with the proposed hypothesis of peculiar orientation of banana-shaped molecules. Moreover, the orientation of the magnetic susceptibility tensor is shown to be strongly dependent on the internal conformation of the banana-shaped molecules. 相似文献
144.
A novel one-dimensional chain manganese(Ⅱ) compound [Mn(trz)2Cl][phthH], (trz=1,2,4-triazole, phthH=hydrogen phthalate), 1, was synthesized and structurally characterized. It crystallizes in monoclinic system, space group P2 /c with a=1.381 1(11) nm, b=0.815 5(7) nm, c=0.735 4(6) nm, β=94.667(15)°, V=0.825 5(12) nm3. It consists of one dimensional cationic manganese(Ⅱ) chain and uncoordinated hydrogen phthalate anions. The manganese(Ⅱ) ions are bridged with two 1,2,4-traizoles and one chloride anion along the cationic chain, in which the weak antiferromagnetic exchange occurs between manganese(Ⅱ) atoms. CCDC: 267461. 相似文献
145.
~(13)C and ~1H NMR technique was used to study the interaction of Gly-Gly with heavy lanthanide cations Dy~(3+), Ho~(3+), Er~(3+), Tm~(3+) and Yb~(3+) in aqueous solution. The stability constants for the 1:1 and 1:2 complexes of Gly-Gly with Ho~(3+) and Yb~(3+) were determined from the titration curves of chemical shift versus concentration ratio of lanthanide to Gly-Gly. The solution structure of the Ln-Gly-Gly complex was analyzed based upon the ~(13)C and ~1H lanthanide-induced shifts and the results show that in the complex Gly-Gly is coordinated to the lanthanide ion through the carboxyl oxygens with the backbone of the ligand in an extended state. 相似文献
146.
Ruiz E Rodríguez-Fortea A Cano J Alvarez S Alemany P 《Journal of computational chemistry》2003,24(8):982-989
The application of theoretical methods based on the density functional theory with hybrid functionals provides good estimates of the exchange coupling constants for polynuclear transition metal complexes. The accuracy is similar to that previously obtained for dinuclear compounds. We present test calculations on simple model systems based on H. He and CH(2). He units to compare with Hartree-Fock and multiconfigurational results. Calculations for complete, nonmodeled polynuclear transition metal complexes yield coupling constants in very good agreement with available experimental data. 相似文献
147.
A new model (called the Temperley-Lieb interactions model) is introduced, in two-dimensional lattice statistics, on a square lattice . The Temperley-Lieb equivalence of this model to the six-vertex, self-dual Potts, critical hard-hexagons and critical nonintersecting string models is established. A graphical equivalence of this model to the six-vertex model generalizes this equivalence to noncritical cases of the above models. The order parameters of a specialization of this model are studied. 相似文献
148.
Alginate Properties and Heavy Metal Biosorption by Marine Algae 总被引:10,自引:0,他引:10
The physical properties of the alginate component in four different brown seaweeds (Sargassumfluitans, Ascophyllum nodosum, Fucus vesiculo-sus, andLaminaria japonica) were characterized using potentiometric titration,13C-nuclear magnetic resonance (NMR), chemical analysis, and viscosity measurements. The heavy metal binding capacities of the
corresponding seaweeds were directly proportional to their respective total carboxyl group content, and related to the electronegativity
of the elements investigated (Ca, Zn, Cd, Cu, and Pb). The uronic acid composition or sequence of the alginate component did
not affect the metal uptake properties of the biosorbents studied here. However, the alginate leaching owing to its solubilization
by Na ions was observed to decrease with increasing intrinsic viscosity of the extracted alginate, related to its molecular
weight, and with increasing apparent acidic dissociation constant, related to the alginate density inside the biomass. 相似文献
149.
(1)测定了醋酸十二烷基铵(DAA)在CAB-O-SIL上的吸附,其等温线属双平台或LS型[1-3,5];(2)NaCl的存在使DAA的吸附增加.但不影响其低浓度下第一平台的吸附量;HCl的存在则在全浓度范围内抑制了DAA的吸附,(3)测定了CAB-O-SIL颗粒在上述各溶液中的悬浮液的稳定性;(4)根据表面形成小胶团的吸附理论(即二步模型产)[2,3,5,],并借助电导跟踪溶液中发生的变化,满意地解释了吸附和聚沉的实验结果. 相似文献
150.
The recombination kinetics of spin-correlated radical pairs (RPs) with three nonequivalent magnetic nuclei were calculated
under conditions of enforced encounters between radicals at time-independent frequency ndif. The simplest two-position model of a RP was used, which includes two states (contact state and distance-separated state)
of the RP, differing in magnitude of isotropic spin-spin exchange interaction between radicals. The calculated kinetic curves
were treated in terms of a three-exponential model. The dependences of corresponding rate constants (k
rec) on ndif, external magnetic field strength (B
0), and intensity, A
eff, of isotropic hyperfine coupling (HFC) were obtained. The k
rec-vs.-ndif or k
rec-vs.-viscosity (ndif varies simultaneously with the inverse lifetime of the contact state) plots pass through maxima whose positions are shifted
from the ndif region near the A
eff value at B
0 = 0.5 G toward high ndif values with an increase in B
0. At ndif ≫ A
eff, the k
rec-vs.-B
0 plots pass through maxima in the region B
0 = A
eff. The calculated dependences are compared with experimental data on recombination of biradicals. The results of calculations
show that the experimentally observed maxima on the k
rec-vs.-B
0 or k
rec-vs.-ndif plots can be due to peculiar features of the spin dynamics induced by the hyperfine coupling rather than the exchange interaction
effects, as is commonly accepted.
__________
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 1103–1110, May, 2005. 相似文献