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31.
Background
Amyotrophic lateral sclerosis (ALS) is an age-dependent neurodegenerative disease that causes motor neuron degeneration, paralysis and death. Mutations in Cu, Zn superoxide dismutase (SOD1) are one cause for the familial form of this disease. Transgenic mice expressing mutant SOD1 develop age-dependent motor neuron degeneration, skeletal muscle weakness, paralysis and death similar to humans. The mechanism whereby mutant SOD1 induces motor neuron degeneration is not understood but widespread mitochondrial vacuolation has been observed during early phases of motor neuron degeneration. How this vacuolation develops is not clear, but could involve autophagic vacuolation, mitochondrial permeability transition (MPT) or uncharacterized mechanisms. To determine which of these possibilities are true, we examined the vacuolar patterns in detail in transgenic mice expressing mutant SOD1G93A. 相似文献32.
van Eis MJ van Der Linde BS de Kanter FJ de Wolf WH Bickelhaupt F 《The Journal of organic chemistry》2000,65(14):4348-4354
In contrast to the terminal phosphinidene complex PhPW(CO)(5) (2), which adds to [5]metacyclophane (1) in a 1,4-fashion, dichlorocarbene preferentially adds in a 1,2-fashion to the formal "anti-Bredt" type double bond of the aromatic ring of 1 to afford the norcaradiene 11b, which immediately rearranges to the bridged cycloheptatriene 12b and further by a [1,5] sigmatropic chlorine migration to the isomeric 13b as the first observable product. More slowly, the latter isomerizes via a dissociative mechanism to give 15b. A computational study supports the notion that the [1,5] chlorine migration in the rearrangement 12b --> 13b, for which an activation barrier of 70.2 kJ mol(-)(1) was calculated, is essentially concerted with minor charge separation. In contrast, the analogous [1,5] chlorine migration in the flat model compound 7,7-dichlorocycloheptatriene (12a) displays features of a dissociative pathway. 相似文献
33.
C. Ward Henson 《Israel Journal of Mathematics》1975,22(1):57-67
The answer to the title question is given in terms of the elementary properties of Banach spaces regarded as structures for a certain first-order language. The same question for Banach space ultrapowers is also considered. The connection between nonstandard hulls and Banach space ultrapowers derives in part from the following fact, of independent interest in nonstandard analysis: for each cardinal number κ there exist ultrapower enlargements which are κ-saturated and which have the κ-isomorphism property. 相似文献
34.
C. Ward Henson 《Israel Journal of Mathematics》1976,25(1-2):108-144
The main theme of this paper is the relationship between a Banach spaceE and its nonstandard hullsê (including ultrapowers ofE). Emphasis is placed on the ways in which the general structure ofê is determined by the approximate shape and arrangement of the finite dimensional subspaces ofE.
This research was partially supported by a grant from the National Science Foundation. 相似文献
35.
Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species 下载免费PDF全文
Ivana Matanović Plamen Atanassov Boris Kiefer Fernando H. Garzon Neil J. Henson 《Journal of computational chemistry》2014,35(26):1921-1929
The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized‐gradient approximation (GGA), nonlocal correlation, meta‐GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised‐RPBE, vdW‐DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW‐DF and meta‐GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of ?2.62 and ?1.1% for the N? N stretching and Rh? H stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the Rh? H and N? N stretching modes from the bulk phonons and by solving one‐ and two‐dimensional Schrödinger equation associated with the Rh? H, Rh? N, and N? N potential energy we calculated the anharmonic correction for N? N and Rh? H stretching modes as ?31 cm?1 and ?77 cm?1 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments. © 2014 Wiley Periodicals, Inc. 相似文献
36.
G. Ooms C. Poelma P. Poesio MJ.B.M. Pourquie J. Westerweel 《International Journal of Multiphase Flow》2008
In an earlier publication some of the authors presented a theoretical model for the calculation of the influence of particle inertia and gravity on the turbulence in a stationary particle-laden flow. In the present publication the model is extended for application to a decaying suspension. Also a comparison is given between predictions made with the model and experimental data (own data and data reported in the literature) on a decaying turbulent flow with particles in a water tunnel or in a wind tunnel. For most of the experiments a prediction with reasonable accuracy and an interpretation is possible by means of the model. 相似文献
37.
38.
Solid lipid nanoparticles (SLNs) have applications in drug delivery and the encapsulation of bioactive, lipophilic compounds. However, SLNs tend to aggregate when stored due to the lipid crystals undergoing a polymorphic transformation from the unstable α form to the stable β form. We developed a population balance equation (PBE) model for prediction of average polymorph content and aggregate size distribution to better understand this undesirable behavior. Experiments with SLNs stored at room temperature showed that polymorphic transformation was the rate determining step for our system, SLNs with smaller initial size distributions aggregated more rapidly, and aggregates contained particles with both α and β crystals. Using parameter values estimated from our data, the PBE model was able to capture the bimodal nature of aggregate size distributions, the α-to-β polymorph ratio, and the faster aggregation dynamics of SLNs with smaller initial size distributions. However, the model was unable to adequately capture the fast disappearance rate of primary particles, the broad size distributions of formed aggregates, and the significant α content of aggregating particles. These discrepancies suggest that a PBE model which accounts for polymorph content as an internal variable along with aggregate size may be required to better reproduce experimental observations. 相似文献
39.
J. M. Gushing Shandelle M. Henson 《Journal of Difference Equations and Applications》2013,19(6):859-872
We study a class of periodically forced, monotone difference equations motivated by applications from population dynamics. We give conditions under which there exists a globally attracting cycle and conditions under which the attracting cycle is attenuant 相似文献
40.
Henson ZB Welch GC van der Poll T Bazan GC 《Journal of the American Chemical Society》2012,134(8):3766-3779
π-Conjugated materials containing pyridal[2,1,3]thiadiazole (PT) units have recently achieved record power conversion efficiencies of 6.7% in solution-processed, molecular bulk-heterojunction (BHJ) organic photovoltaics. Recognizing the importance of this new class of molecular systems and with the aim of establishing a more concrete path forward to predict improvements in desirable solid-state properties, we set out to systematically alter the molecular framework and evaluate structure-property relationships. Thus, the synthesis and properties of 13 structurally related D(1)-PT-D(2)-PT-D(1) compounds, where D represents a relatively electron-rich aromatic segment compared to PT, are provided. Physical properties were examined using a combination of absorption spectroscopy, cyclic voltammetry, thermal gravimetric analysis, differential scanning calorimetry, and solubility analysis. Changes to end-capping D(1) units allowed for fine control over electronic energy levels both in solution and in the bulk. Substitution of different alkyl chains on D(2) gives rise to controllable melting and crystallization temperatures and tailored solubility. Alterations to the core donor D(2) lead to readily identifiable changes in all properties studied. Finally, the regiochemistry of the pyridal N-atom in the PT heterocycle was investigated. The tailoring of structures via subtle structural modifications in the presented molecular series highlights the simplicity of accessing this chromophore architecture. Examination of the resulting materials properties relevant for device fabrication sets forth which can be readily predicted by consideration of molecular structure and which lack a systematic understanding. Guidelines can be proposed for the design of new molecular frameworks with the possibility of outperforming the current state of the art OPV performance. 相似文献