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151.
Lin Dong Dr. Heiko Schill Dr. Rebecca L. Grange Dr. Achim Porzelle Dr. Jenny P. Johns Peter G. Parsons Dr. Victoria A. Gordon Dr. Paul W. Reddell Dr. Craig M. Williams Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(42):11307-11318
EBC‐23, 24, 25, 72, 73, 75 and 76 were isolated from the fruit of Cinnamomum laubatii (family Lauraceae) in the Australian tropical rainforests. EBC‐23 ( 1 ) was synthesized stereoselectively, in nine linear steps in 8 % overall yield, to confirm the reported relative stereochemistry and determine the absolute stereochemistry. Key to the total synthesis was a series of Tietze–Smith linchpin reactions. The novel spiroacetal structural motif, exemplified by EBC‐23 ( 1 ), was found to inhibit the growth of the androgen‐independent prostate tumor cell line DU145 in the mouse model, indicating potential for the treatment of refractory solid tumors in adults. 相似文献
152.
Maria das Dores M.C. Ribeiro da Silva Manuel A.V. Ribeiro da Silva Vera L.S. Freitas Maria Victoria Roux Pilar Jiménez Manuel Temprado Juan Z. Dávalos Pilar Cabildo Rosa M. Claramunt José Elguero 《The Journal of chemical thermodynamics》2009,41(12):1400-1407
A thermochemical and thermophysical study has been carried out for crystalline barbital [5,5′-diethylbarbituric acid]. The thermochemical study was made by static bomb combustion calorimetry, from which the standard () molar enthalpy of formation of the crystalline barbital, at T = 298.15 K, was derived as −(753.0 ± 1.8) kJ · mol−1. The thermophysical study was made by differential scanning calorimetry over the temperature interval (265 to 470) K. A solid–solid phase transition was found at T = 413.3 K. The vapour pressures of the crystalline barbital were measured at several temperatures between T = (355 and 377) K, by the Knudsen mass-loss effusion technique, from which the standard molar enthalpy of sublimation, at T = 298.15 K was derived as (117.3 ± 0.6) kJ · mol−1. The combination of the experimental results yielded the standard molar enthalpy of formation of barbital in the gaseous phase, at T = 298.15 K, as −(635.8 ± 1.9) kJ · mol−1. This value is compared and discussed with our theoretical calculations by several methods (Gaussian-n theories G2 and G3, complete basis set CBS-QB3, density functional B3P86 and B3LYP) by means of atomization and isodesmic reaction schemes. 相似文献
153.
Filippov OA Tsupreva VN Epstein LM Lledos A Shubina ES 《The journal of physical chemistry. A》2008,112(35):8198-8204
The results of DFT calculations of harmonic and anharmonic frequencies of the dihydrogen bonded (DHB) complexes H 3EH (-)...HOR (E = B, Al, Ga and HOR = CH 3OH, CF 3CH 2OH) in gas phase and in low polar medium (by CPCM model) in comparison with the partners are presented. Normal coordinate analysis of the low-frequency modes was carried out to assign the new vibrations induced by DHB formation by the potential energy distribution values. Among them, the intermolecular H...H stretching vibrations only have individual modes. The influence of central atom mass and isotope and the strength of the proton donor effects were determined. The systems convenient for IR studies were chosen from the calculation predictions. The spectral investigation was made on the BH 4 (-)/ROH complexes (ROH = CH 2FCH 2OH (MFE), CF 3CH 2OH (TFE), (CF 3) 2CHOH (HFIP)). The results of temperature dependence, isotope substitution, and influence of the proton-donor strength studies agree with the theoretical conclusions. Combination of experimental and theoretical approaches allowed determining for the first time the intermolecular stretching mode characterizing intrinsic DHB vibrations. 相似文献
154.
Roux MV Temprado M Notario R Foces-Foces C Emel'yanenko VN Verevkin SP 《The journal of physical chemistry. A》2008,112(32):7455-7465
This paper reports the value of the standard (p(o) = 0.1 MPa) molar enthalpy of formation in the gas phase at T = 298.15 K for barbituric acid. The enthalpies of combustion and sublimation were measured by static bomb combustion calorimetry and transference (transpiration) method in a saturated N2 stream and a gas-phase enthalpy of formation value of -(534.3 +/- 1.7) kJ x mol(-1) was determined at T = 298.15 K. G3-calculated enthalpies of formation are in very good agreement with the experimental value. The behavior of the sample as a function of the temperature was studied by differential scanning calorimetry, and a new polymorph of barbituric acid at high temperature was found. In the solid state, two anhydrous forms are known displaying two out of the six hydrogen-bonding patterns observed in the alkyl/alkenyl derivatives retrieved from the Cambridge Crystallographic Database. The stability of these motifs has been analyzed by theoretical calculations. X-ray powder diffraction technique was used to establish to which polymorphic form corresponds to the commercial sample used in this study and to characterize the new form at high temperature. 相似文献
155.
156.
Victoria Bejar Concepcion Calvo Juan Moliz Francisco Diaz-Martinez Emilia Quesada 《Applied biochemistry and biotechnology》1996,59(1):77-86
The exopolysaccharide produced byVolcaniella eurihalina, an halophilic eubacterium, under different environmental and nutritional conditions, is studied.V. eurihalina synthesizes an acidic heteropolysaccharide, composed by rhamnose, glucose, and mannose, as well as amino sugars, uronic acids,
and acetyl and sulphate residues. This composition varies depending on the nutrients of culture medium. Viscosity and pseudoplasticity
of the polymer solutions are also influenced by the nutritional conditions in which the microorganism was grown. 相似文献
157.
Pilar Jiménez Maria Victoria Roux JiŘi Kulhánek Otto Exner 《Structural chemistry》1996,7(5-6):375-381
The energy of combustion of 2,5-dimethoxybenzoic acid has been determined using a static bomb calorimeter. The vapor pressures of the compound have been measured over a 18 K temperature interval by the Knudsen effusion technique. Heat capacity measurements betweenT=270 K andT=338 K were carried out by DSC. From these experimental results the standard molar enthalpies of combustion, sublimation, and formation in the crystalline and gaseous state at the temperature 298.15 K have been derived. With this compound, the series of mono- and dimethoxy-benzoic acids have been completed. Theirf H
m
o
values were expressed by an additive relationship, taking into account the number of methoxy groups and the number of all 1,2 interactions: an accuracy of 3.3 kJ·mol–1 was achieved. In an alternative approach the substituent effect of the methoxy groups was evaluated within the framework of isodesmic reactions. The effect of disubstitution was referred to mono derivatives and the excess energy—the so-called buttressing effect—was evaluated (2–24 kJ· mol–1 for individual bis derivatives). These values were explained in terms of the conformation of the methoxy group around the Car-O bond. 相似文献
158.
Victoria Hernández-Mederos Pedro L. del Ángel Jorge Estrada-Sarlabous 《Numerical Algorithms》2008,48(1-3):29-47
In this paper we propose an advancing front method for generating an isotropic triangular mesh on a regular parametric surface. Starting from a point on the surface, the method computes a set of points in the intersection curve between the surface and the sphere centered at that point with a prescribed radius. From this set we select the vertices of a cell composed by triangles approximately equilateral. The mesh grows repeating the described computation with boundary vertices of the cell as starting points. Compared to methods proposed by other authors, the current method may be considered as an improvement, since it is more efficient and flexible. Furthermore, the resulting mesh is closer to being isotropic. Additionally, we obtain a sufficient condition ensuring that a surface triangulation is of Delaunay type. 相似文献
159.