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1.
Rational Molecular Design towards Vis/NIR Absorption and Fluorescence by using Pyrrolopyrrole aza‐BODIPY and its Highly Conjugated Structures for Organic Photovoltaics 下载免费PDF全文
Prof. Dr. Soji Shimizu Taku Iino Prof. Dr. Akinori Saeki Prof. Dr. Shu Seki Prof. Dr. Nagao Kobayashi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(7):2893-2904
Pyrrolopyrrole aza‐BODIPY (PPAB) developed in our recent study from diketopyrrolopyrrole by titanium tetrachloride‐mediated Schiff‐base formation reaction with heteroaromatic amines is a highly potential chromophore due to its intense absorption and fluorescence in the visible region and high fluorescence quantum yield, which is greater than 0.8. To control the absorption and fluorescence of PPAB, particularly in the near‐infrared (NIR) region, further molecular design was performed using DFT calculations. This results in the postulation that the HOMO–LUMO gap of PPAB is perturbed by the heteroaromatic moieties and the aryl‐substituents. Based on this molecular design, a series of new PPAB molecules was synthesized, in which the largest redshifts of the absorption and fluorescence maxima up to 803 and 850 nm, respectively, were achieved for a PPAB consisting of benzothiazole rings and terthienyl substituents. In contrast to the sharp absorption of PPAB, a PPAB dimer, which was prepared by a cross‐coupling reaction of PPAB monomers, exhibited panchromatic absorption across the UV/Vis/NIR regions. With this series of PPAB chromophores in hand, a potential application of PPAB as an optoelectronic material was investigated. After identifying a suitable PPAB molecule for application in organic photovoltaic cells based on evaluation using time‐resolved microwave conductivity measurements, a maximized power conversion efficiency of 1.27 % was achieved. 相似文献
2.
In this paper, we will propose algorithms for calculating a minimal ellipsoid circumscribing a polytope defined by a system
of linear inequalities. If we know all vertices of the polytope and its cardinality is not very large, we can solve the problem
in an efficient manner by a number of existent algorithms. However, when the polytope is defined by linear inequalities, these
algorithms may not work since the cardinality of vertices may be huge. Based on a fact that vertices determining an ellipsoid
are only a fraction of these vertices, we propose algorithms which iteratively calculate an ellipsoid which covers a subset
of vertices. Numerical experiment shows that these algorithms perform well for polytopes of dimension up to seven. 相似文献
3.
4.
Upper bounds for survival probability of the contact process 总被引:3,自引:0,他引:3
5.
This paper proposes a two step algorithm for solving a large scale semi-definite logit model, which is appreciated as a powerful
model in failure discriminant analysis. This problem has been successfully solved by a cutting plane (outer approximation)
algorithm. However, it requires much more computation time than the corresponding linear logit model. A two step algorithm
to be proposed in this paper is intended to reduce the amount of computation time by eliminating a certain portion of the
data based on the information obtained by solving an associated linear logit model. It will be shown that this algorithm can
generate a solution with almost the same quality as the solution obtained by solving the original large scale semi-definite
model within a fraction of computation time. 相似文献
6.
Hiroshi Konno 《Mathematical Programming》1988,41(1-3):185-193
We will consider a concave minimization problem associated with a series production system in which raw material is processed inm consecutive facilities. The products at some facility are either sent to the next facility or stocked in the warehouse. The amount of demand for the final products during periodi, i = 1,,n, are known in advance. Our problem is to minimize the sum of processing, holding and backlogging cost, all of which are assumed to be concave.The origin of this model is the classical economic lot size problem of Wagner and Whitin and was extensively studied by Zangwill. This model is very important from the theoretical as well as practical point of view and this is one of the very rare instances in which polynomial time algorithm has been constructed for concave minimization problems.The purpose of this paper is to extend the model further to the situation in which time lag is associated with processing at each facility. We will propose an efficient O(n
4
m) algorithm for this class of problems. 相似文献
7.
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9.
Akinori Furutani 《Tetrahedron letters》2004,45(41):7621-7624
The diastereoselective [2+2] photocycloaddition of a cyclohexenonecarboxylate containing (−)-8-(4-nitrophenyl)menthyl as a chiral auxiliary to ethylene gave the photocycloadduct, a bicyclo[4.2.0]octanone derivative, with a high degree of diastereoselectivity. A photoreaction, conducted in CH2Cl2 at −78 °C gave the corresponding photocycloadduct in 88% de. In the presence of Ti(OR)4 or Me3SnCl, the diastereoselectivity was increased up to 92% de. 相似文献
10.
Akinori Ohshita Masaaki Okuhara Chiharu Matsuya Koichi Hata Kazuo Iida 《Mikrochimica acta》2006,155(1-2):225-228
A new electron holographic method is presented to directly visualize pure phase objects such as electromagnetic microfields,
which is achieved by superposition of two kinds of electron holograms. The method is very simple and is twice as sensitive
as the conventional double-exposure electron holography and the four-electron-wave interference. Using this technique, an
electric field around a charged latex sphere and a magnetic field around a barium ferrite particle have been directly observed. 相似文献