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891.
An efficient and simple approach for the synthesis of functionalized 4H-chromenes has been developed via acid catalyzed Michael addition of phenols to benzylidene oxobutanoates. Preliminary mechanistic studies were conducted, suggesting that intermediate chroman derivative is initially formed which on dehydration produces final 4H-chromene. The conversion of 4H-chromenes into linear and angular pyranocoumarins is also described. The structural arrangements between the pyran and coumarin rings have been established by X-ray crystallographic analysis and 2D NMR spectroscopy. 相似文献
892.
Rajnikant V. K. Gupta R. Gupta A. Kumar R. K. Bamezai N. K. Sharma B. Varghese 《Crystallography Reports》2000,45(1):98-102
The structure of a liquid crystal of 4-cyano-4′-n-octyloxybiphenyl (C21H25NO) is determined by X-ray diffraction analysis. The compound crystallizes in the triclinic crystal system with unit cell parameters a = 7.322(1) Å, b = 12.693(3) Å, c = 20.393(2) Å, α = 92.45(1)°, β = 99.96(1)°, γ = 99.35(2)°, and space group $P\bar 1$ . The structure is solved by the direct method and refined to R = 0.057. Two independent molecules are located in the asymmetric unit. No short intermolecular contacts are observed in the crystal packing. 相似文献
893.
Ian R. Pottie C. V. Krishnamohan Sharma Keith Vaughan Michael J. Zaworotko 《Journal of chemical crystallography》1998,28(1):5-10
The crystal and molecular structure of 1,2-bis-{1-(2-cyanophenyl)-3-methyltriazen-3-yl-}ethane (1) and 1,2-bis-{1-(2-methoxyphenyl)-3-methyltriazen-3-yl-}ethane (2) have been determined by single crystal X-ray diffraction analysis. Bis-triazene (1) exists as the staggered conformation in the solid state, with an anti-anti configuration around the N2–N3 bond of the triazene units, whereas 2 assumes a gauche conformation with the syn-syn configuration in the triazene units. Crystal data: 1 C18H18N8, triclinic, space group P –1, a = 6.108(2), b = 8.118(3), c = 9.600(4)Å, = 101.37(7)°, = 96.47(7)°, = 102.71(5)°, V = 449.1(3)Å3, Z = 2; 2 C18H24N6O2, monoclinic, space group P 21/n, a = 13.119(5), b = 7.745(2), c = 19.201(2)Å, = 96.47(7)°, V = 1910.3(9)Å3, Z = 4. 相似文献
894.
A simplified approach to computer simulation of amorphous structures by the dense random packing of hard spheres (DRPHS) has been developed and applied to amorphous Tb and TbFe2. The computer algorithms devised are rapid and result in uniform, isotropic packing for both the monatomic as well as binary systems; in the latter case, small-atom drift toward the center of the cluster is reduced to the uncertainty in the random number generator. Energy relaxation has been performed using the first term in Keating's expression for the elastic energy; relaxation causes the peaks in the pair correlation functions to broaden, but their relative intensities (peak areas) remain essentially the same. In all cases investigated, the packing fractions are 2% (or less) smaller than those of Finney's ball bearing measurements, and the calculated densities are 13–23% lower than their crystalline counterparts. The pair correlation functions of the monatomic and binary models have been compared with X-ray results on CoP and neutron results on TbFe2 and found to be in good agreement. 相似文献
895.
Raj?Pal?SharmaEmail author Rajni?Sharma Ritu?Bala Paloth?Venugopalan 《Journal of chemical crystallography》2005,35(8):595-601
The title compound was synthesized by mixing the separately dissolved trans-dichlorobis(ethylenediamine)cobalt(III) chloride and sodium 4-aminobenzoate in aqueous medium in 1:3 molar ratio and recrystallizing the product obtained, from hot water. Elemental analyses and spectroscopic techniques (IR, UV/visible, 1H and 13C NMR) were used for characterizing the complex salt. X-ray structure determination revealed an ionic structure consisting of [Co(en)2(C7H6NO2)2]+ cation, (C7H6NO2)− anion and four lattice water molecules. The complex salt crystallizes in the triclinic space group P
with cell dimensions a = 9.985(1) Å, b = 11.522(1) Å, c = 14.233(1) Å, α = 80.20(1)∘, β = 72.80(1)∘, γ = 86.43(1)∘, Z = 2, V = 1541.3(2) Å3, R1 = 0.0291, and wR2 = 0.0751. 相似文献
896.
In this paper, we explicitly characterize a class of solutions to the first order quasilinear system of partial differential
equations (PDEs), governing one dimensional unsteady planar and radially symmetric flows of an adiabatic gas involving shock
waves. For this, Lie group analysis is used to identify a finite number of generators that leave the given system of PDEs
invariant. Out of these generators, two commuting generators are constructed involving some arbitrary constants. With the
help of canonical variables associated with these two generators, the assigned system of PDEs is reduced to an autonomous
system, whose simple solutions provide non trivial solutions of the original system. It is interesting to remark that one
of the special solutions obtained here, using this approach, is precisely the blast wave solution known in the literature.
相似文献
897.
Sharma GV Subash V Reddy NY Narsimulu K Ravi R Jadhav VB Murthy US Kishore KH Kunwar AC 《Organic & biomolecular chemistry》2008,6(22):4142-4156
New C-linked carbo-beta-amino acids (beta-Caas), Cbz-(S)-beta-Caa-(NHBoc)-OMe (1) and Cbz-(R)-beta-Caa-(NHBoc)-OMe (2), with an additional amine group (methylamino group of NHBoc) at the C-1 position of the lyxofuranoside side chain and Boc-(S)-beta-Caa-(diFP)-OMe (3) and Boc-(R)-beta-Caa-(diFP)-OMe (4), with a C-difluorophenyl (diFP) moiety at the anomeric position of the lyxofuranoside side chain were prepared from D-mannose. Beta-peptides [tetra- and hexapeptides] were synthesized from these beta-Caas, 'epimeric' [at the amine stereocentre (C(beta))], using the concept of 'alternating chirality' to carry out their conformational studies [NMR (CDCl(3)), CD and MD]. In the monomer design, it was envisaged that the presence of an additional amine group in 1 or 2 would help in solubilizing the peptides in water, while, the C-difluorophenyl (diFP) moiety of 3 and 4 is expected to enhance the biological activity. The peptides having 1 and 2, though could not retain their 12-10-mixed helices in water, have shown moderate activity against gram positive and gram negative bacterial strains. The peptides prepared from 3 and 4, much against our expectations, did not display any biological activity. 相似文献
898.
A genetic algorithm was employed in association with high-throughput synthesis and characterization in an attempt to search for red phosphors with high photoluminescent intensity. A tetravalent manganese-doped alkali earth germanium oxide system, with an emission color close to a desirable deep red, was screened with the assistance of a genetic algorithm to pinpoint the phosphor exhibiting the highest photoluminescence. As the genetic algorithm was in progress, the PL intensity increased and maximized in the fourth generation. The highest and the average PL intensity of the fourth generation improved by 23 and 120%, respectively, compared with that of the first generation. 相似文献
899.
Anubha Sharma Sunita Gamre Siddharth Roy Dibakar Goswami Angshuman Chattopadhyay Subrata Chattopadhyay 《Tetrahedron letters》2008,49(24):3902-3905
A facile asymmetric synthesis of the octalactin lactone was developed staring from (R)-cyclohexylideneglyceraldehyde (1). The key step of the synthesis is an In-mediated diastereoselective crotylation of 1 in water, which furnished the building blocks with the required stereochemistry under operationally simple conditions. Their conversion to the appropriate intermediates, invertive esterification and a ring closing metathesis reaction furnished the target compound. 相似文献
900.
Interaction of 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and isopropanol in the presence of equimolar quantities of guanidine thiocyanate (GndSCN) with bovine α-lactalbumin (α-LA) has been investigated by using a combination of isothermal titration calorimetry, circular dichroism, fluorescence, and ultra-violet spectroscopies at in 20 · 10?3 mol · dm?3 phosphate buffer pH 7.0. All the thermal unfolding transitions, in the presence of both the (alcohol + salt) mixtures were found to be reversible as judged by the same values of absorbance observed at different temperatures during cooling after the completion of thermal unfolding. In the presence of the 0.25 mol · dm?3 (HFIP + GndSCN) equimolar mixture and 0.85 mol · dm?3 (isopropanol + GndSCN) equimolar mixture, α-lactalbumin was observed to be in the partially folded state with significant loss of native tertiary structure. Intrinsic fluorescence results, acrylamide and potassium iodide quenching, 8-anilino-1-naphthalenesulfonic acid (ANS) binding, and energy transfer results also corroborate the presence of partially folded states of α-lactalbumin. Apart from the generation of the partially folded states, it was also observed that destabilizing action of GndSCN is reduced in the presence of isopropanol compared to that in HFIP. Isothermal titration calorimetry has been used to characterize the energetics of ANS binding to the partially folded states of the protein. ITC results indicate that ANS binds to these partially folded states at pH 7.0 due to the presence of two sequentially binding sites on the protein under the solvent conditions employed. For example, ANS binds to the 0.25 mol · dm?3 (HFIP + GndSCN) induced partially folded state with affinity constants K1 = (858 ± 220), K2 = (1.12 ± 0.25) · 103; enthalpies of binding ΔH1 = (4.4 ± 1.0) kJ · mol?1, ΔH2 = (2.1 ± 0.2) kJ · mol?1; and entropies of binding ΔS1 = 70 J · K?1 · mol?1 and ΔS2 = 65 J · K?1 · mol?1, respectively at these two sequential binding sites. In light of the fluorescence results, possible binding sites where ANS can bind to the protein have also been suggested. 相似文献