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901.
α-Arylation and Ring Expansion of Annulated Cyclobutanones: Stereoselective Synthesis of Functionalized Tetralones
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Dr. Stanley Chang Dr. Michael Holmes Dr. Jeffrey Mowat Michael Meanwell Prof. Robert Britton 《Angewandte Chemie (International ed. in English)》2017,56(3):748-752
α-Arylcyclobutanones display unique reactivity that makes them valuable synthetic intermediates and target molecules. We describe the preparation of α-aryl- and α-heteroarylcyclobutanones through a direct α-arylation reaction. Problematic fragmentations are avoided by the use of LiOtBu, which promotes a rapid but reversible self-aldol reaction that slowly releases the enolate required for α-arylation. We also demonstrate the ring expansion of α-arylcyclobutanones, a process that is highlighted in the stereoselective synthesis of 1-methoxy coniothyrinone D. 相似文献
902.
G Crombez 《Numerical Functional Analysis & Optimization》2013,34(9-10):877-892
In a stochastic convex feasibility problem connected with a complete probability space (Ω,A,μ) and a family of closed convex sets (Cω)ωεΩ in a real Hilbert space H, one wants to find a point that belongs to Cω for μ almost all ω ε Ω. We present a projection based method where the variable relaxation parameter is defined by a geometrical condition, leading to an iteration sequence that is always weakly convergent to a μ almost common point. We then give a general condition assuring norm convergence of this equation to that μ almost common point 相似文献
903.
Andrea MALCHIODI 《数学年刊B辑(英文版)》2017,38(2):539-562
The author surveys some recent progress on the Toda system on a two-dimensional surface Σ,arising in models from self-dual non-abelian Chern-Simons vortices,as well as in differential geometry.In particular,its variational structure is analysed,and the role of the topological join of the barycentric sets of Σ is shown. 相似文献
904.
905.
《应用有机金属化学》2017,31(12)
A series of N ‐heterocyclic carbene (NHC)/Ag systems were developed for the carboxylative assembly of propargylic alcohols and carbon dioxide (CO2). With the catalysis of these catalytic systems, a variety of target α‐alkylidene cyclic carbonates could be obtained smoothly under atmospheric CO2 pressure in straightforward one‐pot processes. Particularly, these reactions could be performed without any stoichiometric addition of bases or additives. Further mechanistic investigation reveals that the excellent activities are attributed to the effective activations of CO2 accomplished by the NHCs via the formation of the NHC‐CO2 adducts. 相似文献
906.
Motivated by the theory of self‐duality that provides a variational formulation and resolution for non‐self‐adjoint partial differential equations (Ann. Inst. Henri Poincaré (C) Anal Non Linéaire 2007; 24 :171–205; Selfdual Partial Differential Systems and Their Variational Principles. Springer: New York, 2008), we propose new templates for solving large non‐symmetric linear systems. The method consists of combining a new scheme that simultaneously preconditions and symmetrizes the problem, with various well‐known iterative methods for solving linear and symmetric problems. The approach seems to be efficient when dealing with certain ill‐conditioned, and highly non‐symmetric systems. The numerical and theoretical results are provided to show the efficiency of our approach. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
907.
908.
For the coupled system with moving boundary values of multilayer dynamicsof fluids in porous media,a characteristic finite difference fractional step scheme appli-cable to the parallel arithmetic is put forward.Some techniques,such as the change ofregions,the calculus of variations,the piecewise threefold quadratic interpolation,themultiplicative commutation rule of difference operators,the decomposition of high orderdifference operators,and the prior estimates,are adopted.The optimal order estimatesin the l2norm are derived to determine the error in the approximate solution.This nu-merical method has been successfully used to simulate the flow of migration-accumulationof the multilayer percolation coupled system.Some numerical results are well illustratedin this paper. 相似文献
909.
Coupled Navier–Stokes—Molecular dynamics simulations using a multi‐physics flow simulation framework
Simulation of nano‐scale channel flows using a coupled Navier–Stokes/Molecular Dynamics (MD) method is presented. The flow cases serve as examples of the application of a multi‐physics computational framework put forward in this work. The framework employs a set of (partially) overlapping sub‐domains in which different levels of physical modelling are used to describe the flow. This way, numerical simulations based on the Navier–Stokes equations can be extended to flows in which the continuum and/or Newtonian flow assumptions break down in regions of the domain, by locally increasing the level of detail in the model. Then, the use of multiple levels of physical modelling can reduce the overall computational cost for a given level of fidelity. The present work describes the structure of a parallel computational framework for such simulations, including details of a Navier–Stokes/MD coupling, the convergence behaviour of coupled simulations as well as the parallel implementation. For the cases considered here, micro‐scale MD problems are constructed to provide viscous stresses for the Navier–Stokes equations. The first problem is the planar Poiseuille flow, for which the viscous fluxes on each cell face in the finite‐volume discretization are evaluated using MD. The second example deals with fully developed three‐dimensional channel flow, with molecular level modelling of the shear stresses in a group of cells in the domain corners. An important aspect in using shear stresses evaluated with MD in Navier–Stokes simulations is the scatter in the data due to the sampling of a finite ensemble over a limited interval. In the coupled simulations, this prevents the convergence of the system in terms of the reduction of the norm of the residual vector of the finite‐volume discretization of the macro‐domain. Solutions to this problem are discussed in the present work, along with an analysis of the effect of number of realizations and sample duration. The averaging of the apparent viscosity for each cell face, i.e. the ratio of the shear stress predicted from MD and the imposed velocity gradient, over a number of macro‐scale time steps is shown to be a simple but effective method to reach a good level of convergence of the coupled system. Finally, the parallel efficiency of the developed method is demonstrated. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
910.