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121.
Westrup KC Gregório T Stinghen D Reis DM Hitchcock PB Ribeiro RR Barison A Back DF de Sá EL Nunes GG Soares JF 《Dalton transactions (Cambridge, England : 2003)》2011,40(13):3198-3210
The reversible thermochromic behaviour of homoleptic [{V(OR)(4)}(n)] complexes in solution [R = Pr(i) (product I), Bu(s) (B(s)), Nep (N) and Cy (C)] is accounted for the existence of an aggregation equilibrium involving dimeric and monomeric species in which vanadium(iv) is respectively five- and four-coordinate. Bulky R groups such as Bu(t) and Pe(t) (tert-pentoxide) prevent aggregation and therefore give rise to exclusively mononuclear compounds (B(t) and P(t), respectively) that are not thermochromic. The complexes and their temperature-dependent interconversion were characterised by single crystal X-ray diffractometry, magnetic susceptibility measurements and electronic, FTIR and EPR spectroscopies in a wide temperature range. Equilibrium constants and enthalpy and entropy changes for the dimerization reactions have been determined and compared with literature data. 相似文献
122.
123.
Mazuela J Norrby PO Andersson PG Pàmies O Diéguez M 《Journal of the American Chemical Society》2011,133(34):13634-13645
A modular set of phosphite-oxazoline (P,N) ligands has been applied to the title reaction. Excellent ligands have been identified for a range of substrates, including previously challenging terminally disubstituted olefins, where we now have reached enantioselectivities of 99% for a range of substrates. The selectivity is best for minimally functionalized substrates with at least a moderate size difference between geminal groups. A DFT study has allowed identification of the preferred pathway. Computational prediction of enantioselectivities gave very good accuracy. 相似文献
124.
Wang E Ma Z Zhang Z Henriksson P Inganäs O Zhang F Andersson MR 《Chemical communications (Cambridge, England)》2011,47(17):4908-4910
A new low band gap polymer (E(g) = 1.6 eV) with alternating thiophene and isoindigo units was synthesized and characterized. A PCE of 3.0% and high open-circuit voltage of 0.89 V were realized in polymer solar cells, which demonstrated the promise of isoindigo as an electron deficient unit in the design of donor-acceptor conjugated polymers for polymer solar cells. 相似文献
125.
Costa EV Pinheiro ML de Souza AD Barison A Campos FR Valdez RH Ueda-Nakamura T Filho BP Nakamura CV 《Molecules (Basel, Switzerland)》2011,16(11):9714-9720
Phytochemical investigation of the branches of Annona foetida Mart. led to isolation from the CH(2)Cl(2) extract of four alkaloids: Atherospermidine (1), described for the first time in this species, liriodenine (2), O-methylmoschatoline (3), and annomontine (4). Their chemical structures were established on the basis of spectroscopic data from IR, MS, NMR (1D and 2D), and comparison with the literature. Compounds 2-4 showed potent trypanocidal effect when evaluated against epimastigote and trypomastigote forms of Trypanosoma cruzi. 相似文献
126.
Andersson S Arasa C Yabushita A Yokoyama M Hama T Kawasaki M Western CM Ashfold MN 《Physical chemistry chemical physics : PCCP》2011,13(35):15810-15820
The photodesorption of H(2)O in its vibrational ground state, and of OH radicals in their ground and first excited vibrational states, following 157 nm photoexcitation of amorphous solid water has been studied using molecular dynamics simulations and detected experimentally by resonance-enhanced multiphoton ionization techniques. There is good agreement between the simulated and measured energy distributions. In addition, signals of H(+) and OH(+) were detected in the experiments. These are inferred to originate from vibrationally excited H(2)O molecules that are ejected from the surface by two distinct mechanisms: a direct desorption mechanism and desorption induced by secondary recombination of photoproducts at the ice surface. This is the first reported experimental evidence of photodesorption of vibrationally excited H(2)O molecules from water ice. 相似文献
127.
Neutral impact collision ion scattering spectroscopy (NICISS) was used to determine the surface structure of three ionic liquids, 1-hexyl-3-methylimidazolium [C(6)mim], 1-octyl-3-methylimidazolium [C(8)mim], 1-decyl-3-methylimidazolium [C(10)mim] tetrafluoroborates [BF(4)]. Concentration depth profiles of the elements in an ionic liquid (IL) homologous series with a common anion were obtained. We show that separation between the oppositely charged ions is seen for all three ionic liquids, resulting in an electrical double layer formation. The surface charge shifts from more positive to more negative with increasing aliphatic chain length. 相似文献
128.
129.
The AC electrical conductivity of LiBH4 was investigated below 2 GPa between 1 Hz and 1.6 MHz. The high-temperature phase has an ionic conductivity of up to 0.01 S cm?1, while the low-temperature phases have conductivities two orders of magnitude lower. All phases show an Arrhenius behaviour with activation energies E a between 0.5 and 0.7 eV, in good agreement with earlier data except for phase III, which is found to have the highest activation energy of the phases studied. The high-temperature phase has a minimum in E a near 1 GPa, close to the triple point, correlated with a sudden change in activation volume. These features may indicate an isostructural phase transition. The conductivities of the ambient temperature phases increase temporarily by an order of magnitude after transitions between these phases, probably due to new diffusion channels via structural defects. The phase diagram agrees well with earlier results. 相似文献
130.