全文获取类型
收费全文 | 259篇 |
免费 | 5篇 |
国内免费 | 5篇 |
专业分类
化学 | 166篇 |
晶体学 | 1篇 |
力学 | 5篇 |
数学 | 37篇 |
物理学 | 60篇 |
出版年
2022年 | 4篇 |
2021年 | 7篇 |
2019年 | 3篇 |
2017年 | 1篇 |
2016年 | 2篇 |
2015年 | 3篇 |
2014年 | 5篇 |
2013年 | 14篇 |
2012年 | 19篇 |
2011年 | 25篇 |
2010年 | 9篇 |
2009年 | 9篇 |
2008年 | 19篇 |
2007年 | 14篇 |
2006年 | 21篇 |
2005年 | 12篇 |
2004年 | 20篇 |
2003年 | 7篇 |
2002年 | 8篇 |
2001年 | 4篇 |
2000年 | 4篇 |
1999年 | 3篇 |
1998年 | 6篇 |
1997年 | 5篇 |
1996年 | 7篇 |
1995年 | 11篇 |
1994年 | 6篇 |
1993年 | 2篇 |
1992年 | 4篇 |
1991年 | 3篇 |
1990年 | 4篇 |
1989年 | 3篇 |
1988年 | 1篇 |
1987年 | 1篇 |
1985年 | 1篇 |
1981年 | 1篇 |
1977年 | 1篇 |
排序方式: 共有269条查询结果,搜索用时 0 毫秒
1.
Jaroslaw A. Jelen 《Numerical Methods for Partial Differential Equations》1994,10(1):85-101
A new multidomain direct (noniterative) method for solving boundary-value problems is presented. Using this method, the solution is expressed by a linear combination of auxiliary functions and unknowns which pertain to the boundaries of a subdomain. This approach enables us to solve problems independently and exactly, without any iterations between subdomains. As a consequence, different types of equations and coordinate systems may be considered in different subdomains. Moreover, different boundary conditions and variable (in space) time steps may be imposed on the subdomains as well. Applications are given for initial boundary-value problems with known analytical solutions, including a highly nonlinear porosity equation. © 1994 John Wiley & Sons, Inc. 相似文献
2.
Ladislav Pesek Leszek A. Dobrzanski Pavol Zubko Jaroslaw Konieczny 《Journal of magnetism and magnetic materials》2006
The paper presents mechanical properties of two kinds of Co-based and one Fe-based metallic ribbons by the depth sensing indentation (DSI) technique. Investigations were carried out on two kinds ternary alloy Co77Si11,5B11,5 and Fe78Si13B9 and multicomponent Co68Fe4Mo1Si13,5B13,5, which are so-called “zero-magnetostriction” materials. Metallic ribbons were investigated in amorphous state and partially crystallized state after annealing in 400°C in argon atmosphere. Heating of ribbons obtained by melt spinning technique was performed to check its effect on changes of mechanical properties. 相似文献
3.
The efficient degradation of to the α-methylene ketone is described. Compound was then converted to the allylic alcohol - the precursor of vitamin D3 relatives. 相似文献
4.
Adam S. Plaziak Jaroslaw Spychala Hanna Wjtowicz Jerzy J. Langer Halina Thiel-Pawlicka Krzysztof Golankiewicz 《Journal of mass spectrometry : JMS》1992,27(11):1293-1298
Ortho-. meta- and para-isomers of N-(pyrimidin-4-yl)aminobenzoic acid and their methyl esters were investigated by electron impact mass Spectrometry. Their fragmentation was found to be strongly dependent on the position of the substituent in the aminobenzoic moiety. Two different kinds of ortho effect were studied and confirmed with the aid of deuterium-labelled derivatives. 相似文献
5.
Rode MF Roszak S Szymczak JJ Sadlej J Leszczynski J 《The Journal of chemical physics》2004,121(13):6277-6281
The results of the theoretical study of ground state potential energy surfaces for the chlorine-acetonitrile anion and its photodetachment product are presented. The shallow potential surfaces allow for the nondefinitive position of the chlorine within the complex. The dissociation energy of the neutral complex, estimated through the thermodynamic cycle, indicates significant structural changes due to the photodetachment process. The excess negative charge is localized mostly on the chlorine atom, and the electron detachment proceeds as an electron is removed from chlorine. The process leads to drastic changes in the electrostatic interactions within the complex. The first electronic excited state corresponds to the excess electron transfer from chlorine to acetonitrile fragment. This state is a precursor of the observed charge-transfer-to-solvent state. 相似文献
6.
Evolution of physics-based methodology for exploring the conformational energy landscape of proteins
Scheraga HA Pillardy J Liwo A Lee J Czaplewski C Ripoll DR Wedemeyer WJ Arnautova YA 《Journal of computational chemistry》2002,23(1):28-34
The evolution of our physics-based computational methods for determining protein conformation without the introduction of secondary-structure predictions, homology modeling, threading, or fragment coupling is described. Initial use of a hard-sphere potential captured much of the structural properties of polypeptide chains, and subsequent more refined force fields, together with efficient methods of global optimization provide indications that progress is being made toward an understanding of the interresidue interactions that underlie protein folding. 相似文献
7.
In the current work we investigated 3D-QSAR data by the use of the coupled leave-several-out (LSO) and leave-one-out (LOO) cross-validation (CV) procedures. We verified the above mentioned scheme using both simulated data and real 3D QSAR data describing a series of CoMFA steroids, heterocyclic azo dyes and styrylquinoline HIV integrase inhibitors. Unlike in standard analyses, this technique characterizes individual method not by a single performance metrics but screens a whole possible modeling space by sampling different molecules into the training and test sets, respectively. This allowed us for the discussion of the information included in the estimators validating cross-validation procedures, as well as the comparison of the efficiency of several 3D QSAR schemes, in particular, Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Surface Analysis (CoMSA). Moreover, it allows one to acquire some general knowledge about predictive and modeling ability in 3D QSAR method. 相似文献
8.
A new straightforward method of synthesis of dendrimers, using two branched monomers (CA(2) and DB(2)), is described. Each generation is obtained in a single quantitative step, with only N(2) or H(2)O as byproducts; generation 4 is obtained in only four steps. The end groups are alternatively phosphines and hydrazines; their versatile reactivity is illustrated by the reaction of generation 4 with a branched CD(5) monomer, which increases the number of end groups in a single step from 48 to 250. 相似文献
9.
The viscoelastic properties of dendrimers of generation 1-4 are studied using nonequilibrium molecular dynamics. Flow properties of dendrimer melts under shear are compared to systems composed of linear chain polymers of the same molecular weight, and the influence of molecular architecture is discussed. Rheological material properties, such as the shear viscosity and normal stress coefficients, are calculated and compared for both systems. We also calculate and compare the microscopic properties of both linear chain and dendrimer molecules, such as their molecular alignment, order parameters and rotational velocities. We find that the highly symmetric shape of dendrimers and their highly constrained geometry allows for substantial differences in their material properties compared to traditional linear polymers of equivalent molecular weight. 相似文献
10.
John D. Roehling Christopher W. Rochester Hyun Wook Ro Peng Wang Jaroslaw Majewski K. Joost Batenburg Ilke Arslan Dean M. Delongchamp Adam J. Moulé 《Journal of Polymer Science.Polymer Physics》2014,52(19):1291-1300
The morphology in mixed bulk‐heterojunction films are compared using three different quantitative measurement techniques. We compare the vertical composition changes using high‐angle annular dark‐field scanning transmission electron microscopy with electron tomography and neutron and x‐ray reflectometry. The three measurement techniques yield qualitatively comparable vertical concentration measurements. The presence of a metal cathode during thermal annealing is observed to alter the fullerene concentration throughout the thickness of the film for all measurements. However, the absolute vertical concentration of fullerene is quantitatively different for the three measurements. The origin of the quantitative measurement differences is discussed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014 , 52, 1291–1300 相似文献