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61.
We have performed molecular dynamics simulations of polyelectrolyte adsorption at oppositely charged surfaces from dilute polyelectrolyte solutions. In our simulations, polyelectrolytes were modeled by chains of charged Lennard-Jones particles with explicit counterions. We have studied the effects of the surface charge density, surface charge distribution, solvent quality for the polymer backbone, strength of the short-range interactions between polymers and substrates on the polymer surface coverage, and the thickness of the adsorbed layer. The polymer surface coverage monotonically increases with increasing surface charge density for almost all studied systems except for the system of hydrophilic polyelectrolytes adsorbing at hydrophilic surfaces. In this case the polymer surface coverage saturates at high surface charge densities. This is due to additional monomer-monomer repulsion between adsorbed polymer chains, which becomes important in dense polymeric layers. These interactions also preclude surface overcharging by hydrophilic polyelectrolytes at high surface charge densities. The thickness of the adsorbed layer shows monotonic dependence on the surface charge density for the systems of hydrophobic polyelectrolytes for both hydrophobic and hydrophilic surfaces. Thickness is a decreasing function of the surface charge density in the case of hydrophilic surfaces while it increases with the surface charge density for hydrophobic substrates. Qualitatively different behavior is observed for the thickness of the adsorbed layer of hydrophilic polyelectrolytes at hydrophilic surfaces. In this case, thickness first decreases with increasing surface charge density, then it begins to increase. 相似文献
62.
63.
Gerd Schfer Wilder Carrillo‐Cabrera Stefano Leoni Horst Borrmann Rüdiger Kniep 《无机化学与普通化学杂志》2002,628(1):67-76
A novel borophosphate, Zn3(C6H14N2)3[B6P12O39(OH)12] · (C6H14N2)[HPO4] has been synthesised under mild hydrothermal conditions at T = 165 °C. The chiral crystal structure was determined by single crystal X‐ray diffraction data (trigonal, R3 (no. 146), Z = 3, a = 2089.55(4) pm, c = 1237.03(4) pm, V = 4677.5(2) · 106 pm3, R1 = 0.066, wR2 = 0.164 for 5100 observed reflections). The title compound can be considered as an ordered composite of the two different and neutral structures which fit into each other: An open framework of composition Zn3(C6H14N2)3[B6P12O39(OH)12] and columns of composition (C6H14N2)[HPO4]. The framework structure is formed by mixed octahedral‐tetrahedral secondary building units, in a three‐dimensional arrangement reflecting a hierarchical derivative of the NbO structure type. The underlying NbO topology is illustrated with the help of Periodic Nodal Surfaces. The composite nature of the compound is resolved in the spatial segregation of two frameworks with a separating surface. 相似文献
64.
G. Abelln A.I. Carrillo N. Linares E. Serrano J. García-Martínez 《Journal of solid state chemistry》2009,182(8):2141-2148
Bimodal macro-mesoporous silica networks have been prepared in a simple one-pot synthesis using an inexpensive tetramine surfactant and tetraethoxysilane as a silica precursor. These novel materials show high pore volumes and templated mesopores (average pore size 3.0 nm) embedded in 20 nm thick walls forming interparticle large meso/macropores. The judicious control of the pH during the silica formation allows for the precise control of the interparticle condensation, likely due to the change in the interaction between the tetramine surfactant and the silica precursors. Finally, a highly porous carbon replica with bimodal porosity was prepared by using the bimodal silica as a hard sacrificial template. The microstructure of the silica template was accurately transferred to the carbon material obtaining high surface areas (up to 1300 m2 g−1) and total pore volumes ≥2 cm3 g−1. 相似文献
65.
José A. Carrillo Dejan Slepčev 《Calculus of Variations and Partial Differential Equations》2009,36(4):547-564
We present a family of first-order functionals which are displacement convex, that is convex along the geodesics induced by
the quadratic transportation distance on the circle. The displacement convexity implies the existence and uniqueness of gradient
flows of the given functionals. More precisely, we show the existence and uniqueness of gradient-flow solutions of a class
of fourth-order degenerate parabolic equations with periodic boundary data. Moreover, positivity of the absolutely continuous
part of the solutions is preserved along the flow. 相似文献
66.
Adrien Blanchet José A. Carrillo Philippe Laurençot 《Calculus of Variations and Partial Differential Equations》2009,35(2):133-168
This paper is devoted to the analysis of non-negative solutions for a generalisation of the classical parabolic-elliptic Patlak–Keller–Segel
system with d ≥ 3 and porous medium-like non-linear diffusion. Here, the non-linear diffusion is chosen in such a way that its scaling
and the one of the Poisson term coincide. We exhibit that the qualitative behaviour of solutions is decided by the initial
mass of the system. Actually, there is a sharp critical mass M
c
such that if solutions exist globally in time, whereas there are blowing-up solutions otherwise. We also show the existence of self-similar
solutions for . While characterising the possible infinite time blowing-up profile for M = M
c
, we observe that the long time asymptotics are much more complicated than in the classical Patlak–Keller–Segel system in
dimension two.
This paper is under the Creative Commons licence Attribution-NonCommercial-ShareAlike 2.5. 相似文献
67.
Sasha Alzate Acevedo lvaro Jos Díaz Carrillo Edwin Flrez-Lpez Carlos David Grande-Tovar 《Molecules (Basel, Switzerland)》2021,26(17)
Banana is a fruit grown mainly in tropical countries of the world. After harvest, almost 60% of banana biomass is left as waste. Worldwide, about 114.08 million metric tons of banana waste-loss are produced, leading to environmental problems such as the excessive emission of greenhouse gases. These wastes contain a high content of paramount industrial importance, such as cellulose, hemicellulose and natural fibers that various processes can modify, such as bacterial fermentation and anaerobic degradation, to obtain bioplastics, organic fertilizers and biofuels such as ethanol, biogas, hydrogen and biodiesel. In addition, they can be used in wastewater treatment methods by producing low-cost biofilters and obtaining activated carbon from rachis and banana peel. Furthermore, nanometric fibers commonly used in nanotechnology applications and silver nanoparticles useful in therapeutic cancer treatments, can be produced from banana pseudostems. The review aims to demonstrate the contribution of the recovery of banana production waste-loss towards a circular economy that would boost the economy of Latin America and many other countries of emerging economies. 相似文献
68.
Reboredo S Reyes E Vicario JL Badía D Carrillo L de Cózar A Cossío FP 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(23):7179-7188
The catalytic enantioselective [3+2] cycloaddition between azomethine ylides and α,β-unsaturated aldehydes catalyzed by α,α-diphenylprolinol has been studied in detail. In particular, the reaction has been extended to the use of 2-alkenylidene aminomalonates generated in situ as azomethine ylide precursors. These reactions lead to the formation of pyrrolidines containing a 5-alkenyl side chain with potential for chemical manipulation. Moreover, a detailed and concise computational study has been carried out to understand the exact nature of the mechanism of this reaction and especially the consequences derived from the incorporation of the chiral secondary amine catalyst on the reaction pathway. 相似文献
69.
Oyer AJ Carrillo JM Hire CC Schniepp HC Asandei AD Dobrynin AV Adamson DH 《Journal of the American Chemical Society》2012,134(11):5018-5021
Applications requiring pristine graphene derived from graphite demand a solution stabilization method that utilizes an easily removable media. Using a combination of molecular dynamics simulations and experimental techniques, we investigate the solublization/suspension of pristine graphene sheets by an equimolar mixture of benzene and hexafluorobenzene (C(6)H(6)/C(6)F(6)) that is known to form an ordered structure solidifying at 23.7 °C. Our simulations show that the graphene surface templates the self-assembly of the mixture into periodic layers extending up to 30 ? from both sides of the graphene sheet. The solvent structuring is driven by quadrupolar interactions and consists of stacks of alternating C(6)H(6)/C(6)F(6) molecules rising from the surface of the graphene. These stacks result in density oscillations with a period of about 3.4 ?. The high affinity of the 1:1 C(6)H(6)/C(6)F(6) mixture with graphene is consistent with observed hysteresis in Wilhelmy plate measurements using highly ordered pyrolytic graphite (HOPG). AFM, SEM, and TEM techniques verify the state of the suspended material after sonication. As an example of the utility of this mixture, graphene suspensions are freeze-dried at room temperature to produce a sponge-like morphology that reflects the structure of the graphene sheets in solution. 相似文献
70.
We consider the continuous version of the Vicsek model with noise, proposed as a model for collective behaviour of individuals with a fixed speed. We rigorously derive the kinetic mean-field partial differential equation satisfied when the number N of particles tends to infinity, quantifying the convergence of the law of one particle to the solution of the PDE. For this we adapt a classical coupling argument to the present case in which both the particle system and the PDE are defined on a surface rather than on the whole space Rd. As part of the study we give existence and uniqueness results for both the particle system and the PDE. 相似文献