全文获取类型
收费全文 | 11754篇 |
免费 | 2143篇 |
国内免费 | 1299篇 |
专业分类
化学 | 5337篇 |
晶体学 | 79篇 |
力学 | 2176篇 |
综合类 | 62篇 |
数学 | 1430篇 |
物理学 | 6112篇 |
出版年
2024年 | 22篇 |
2023年 | 157篇 |
2022年 | 308篇 |
2021年 | 486篇 |
2020年 | 557篇 |
2019年 | 518篇 |
2018年 | 405篇 |
2017年 | 436篇 |
2016年 | 629篇 |
2015年 | 531篇 |
2014年 | 680篇 |
2013年 | 1177篇 |
2012年 | 705篇 |
2011年 | 747篇 |
2010年 | 645篇 |
2009年 | 788篇 |
2008年 | 816篇 |
2007年 | 825篇 |
2006年 | 726篇 |
2005年 | 557篇 |
2004年 | 433篇 |
2003年 | 404篇 |
2002年 | 373篇 |
2001年 | 312篇 |
2000年 | 287篇 |
1999年 | 238篇 |
1998年 | 229篇 |
1997年 | 156篇 |
1996年 | 144篇 |
1995年 | 134篇 |
1994年 | 141篇 |
1993年 | 104篇 |
1992年 | 77篇 |
1991年 | 66篇 |
1990年 | 54篇 |
1989年 | 48篇 |
1988年 | 39篇 |
1987年 | 43篇 |
1986年 | 26篇 |
1985年 | 29篇 |
1984年 | 24篇 |
1983年 | 17篇 |
1982年 | 25篇 |
1981年 | 8篇 |
1980年 | 6篇 |
1979年 | 14篇 |
1978年 | 9篇 |
1976年 | 9篇 |
1971年 | 6篇 |
1957年 | 11篇 |
排序方式: 共有10000条查询结果,搜索用时 203 毫秒
101.
Haijun Shen 《Molecular physics》2014,112(19):2614-2620
Molecular dynamics method was used to simulate the twists of four GNRs (graphene nanoribbons), two AGNRs (armchair GNRs), and two ZGNRs (zigzag GNRs). Thermal conductivity of the length-fixing GNRs under torsion and at high temperature was calculated. It is found that the ZGNRs have better torsional rigidity than the AGNRs; under the torsional deformation of 34.2°/nm local buckling occurs in the length-fixing GNRs, and under the deformation of 22.8°/nm overall buckling occurs in the ones with free-length. In the range of investigated twist-angle and temperature, the thermal conductivity of the length-fixing GNRs decreases with the increase of torsional deformation and temperature. The wider GNRs have better anti-torsion capability and thermal conductivity. 相似文献
102.
Rujie Wang Xiaoming Yan Xuemei Wu Gaohong He Lin Du Zhengwen Hu Ming Tan 《Journal of Polymer Science.Polymer Physics》2014,52(16):1107-1117
Modification of proton conductive channels (PCCs) in Nafion has been achieved with the assistance of 3, 4‐dimethylbenzaldehyde (DMBA). During annealing, ionic clusters develop from small isolated spheres (1.72 nm) to wide continuous channels (5.15 nm), and the crystallinity of Nafion/DMBA membranes is also improved from 17% to 32% as shown by X‐ray diffraction. Molecular dynamic simulation reveals that hydrogen bonding and hydrophobic interaction between DMBA and Nafion work synergistically to achieve better phase separation. The morphology–property relationship shows that, versus various PCCs width, the corresponding proton conductivities vary greatly from 0.079 to 0.139 S/cm at 80 °C. By carefully tuning the width of PCCs, the proton conductivity shows an improvement of 22–34% as compared with pristine Nafion. A significant enhancement on the maximum power density is achieved for the membrane electrode assembly on Nafion/DMBA‐8h (as high as 1018 mW/cm?2), yielding an enhancement of 39% on pristine Nafion‐8h (730 mW/cm?2). © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014 52, 1107–1117 相似文献
103.
The star products in symbolic dynamics, as effective algebraic operations for describing self-similar bifurcation structure in classical dynamical systems, are found to have either associativity or non-associativity. In this Letter, non-associative star products in trimodal iterative dynamical systems are considered. As the left and right operations have different effects, right-associative star products break the conventional Feigenbaum's metric universality. Through high precision parallel computation, it is found that period-p-tupling bifurcation processes described by right-associative star products exhibit a superconvergent universality of double exponential form. 相似文献
104.
We study global dynamics of a mass conserved reaction–diffusion system. First, we show the global-in-time existence of the solution with compact orbit. Then the dynamical stability of local minima associated with a variational function is proven. 相似文献
105.
Dr. Paula Gómez‐Álvarez Prof. Sofia Calero 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(52):18705-18708
The separation of carbon dioxide from flue gas is essential for the reduction of greenhouse gas emissions. In adsorptive methods, the challenge lies in the choice of suitable porous materials. Among all zeolite topologies, a number of adsorbents with pore dimensions in the range of the guest molecules were identified to allow an excellent separation by diffusion, and MRE and AFO zeolite topologies appear to be the best candidates based on equilibrium adsorption. Also, it was found that the behavior of this gas mixture in DFT and APD zeolites differed from the normal behavior. 相似文献
106.
Methoxy and Methyl Group Rotation: Solid‐State NMR 1H Spin‐Lattice Relaxation,Electronic Structure Calculations,X‐ray Diffractometry,and Scanning Electron Microscopy 下载免费PDF全文
Prof. Peter A. Beckmann Dr. Clelia W. Mallory Prof. Frank B. Mallory Prof. Arnold L. Rheingold Dr. Xianlong Wang 《Chemphyschem》2015,16(7):1509-1519
We report solid‐state 1H nuclear magnetic resonance (NMR) spin‐lattice relaxation experiments, X‐ray diffractometry, field‐emission scanning electron microscopy, and both single‐molecule and cluster ab initio electronic structure calculations on 1‐methoxyphenanthrene ( 1 ) and 3‐methoxyphenanthrene ( 2 ) to investigate the rotation of the methoxy groups and their constituent methyl groups. The electronic structure calculations and the 1H NMR relaxation measurements can be used together to determine barriers for the rotation of a methoxy group and its constituent methyl group and to develop models for the two coupled motions. 相似文献
107.
Dr. Manjeet Kumar Dr. Thomas Simonson Dr. Gilles Ohanessian Dr. Carine Clavaguéra 《Chemphyschem》2015,16(3):658-665
The association of Mg2+ and H2PO4? in water can give insights into Mg:phosphate interactions in general, which are very widespread, but for which experimental data is surprisingly sparse. It is studied through molecular dynamics simulations (>100 ns) by using the polarizable AMOEBA force field, and the association free energy is computed for the first time. Explicit consideration of outer‐sphere and two types of inner‐sphere association provides considerable insight into the dynamics and thermodynamics of ion pairing. After careful assessment of the computational approximations, the agreement with experimental values indicates that the methodology can be extended to other inorganic and biological Mg:phosphate interactions in solution. 相似文献
108.
Understanding the Structural Differences between Spherical and Rod‐Shaped Human Insulin Nanoparticles Produced by Supercritical Fluids Precipitation 下载免费PDF全文
Dr. Yeonju Park Yongil Seo Dr. Boknam Chae Prof. Dongjin Pyo Prof. Hoeil Chung Prof. Hyonseok Hwang Prof. Young Mee Jung 《Chemphyschem》2015,16(2):476-482
In this study, the thermal denaturation mechanism and secondary structures of two types of human insulin nanoparticles produced by a process of solution‐enhanced dispersion by supercritical fluids using dimethyl sulfoxide (DMSO) and ethanol (EtOH) solutions of insulin are investigated using spectroscopic approaches and molecular dynamics calculations. First, the temperature‐dependent IR spectra of spherical and rod‐shaped insulin nanoparticles prepared from DMSO and EtOH solution, respectively, are analyzed using principal component analysis (PCA) and 2D correlation spectroscopy to obtain a deeper understanding of the molecular structures and thermal behavior of the two insulin particle shapes. All‐atom molecular dynamics (AAMD) calculations are performed to investigate the influence of the solvent molecules on the production of the insulin nanoparticles and to elucidate the geometric differences between the two types of nanoparticles. The results of the PCA, the 2D correlation spectroscopic analysis, and the AAMD calculations clearly reveal that the thermal denaturation mechanisms and the degrees of hydrogen bonding in the spherical and rod‐shaped insulin nanoparticles are different. The polarity of the solvent might not alter the structure or function of the insulin produced, but the solvent polarity does influence the synthesis of different shapes of insulin nanoparticles. 相似文献
109.
Dynamics of Fluorescent Dyes Attached to G‐Quadruplex DNA and their Effect on FRET Experiments 下载免费PDF全文
Siri Søndergaard Dr. Mikayel Aznauryan Emil K. Haustrup Prof. Birgit Schiøtt Prof. Victoria Birkedal Prof. Ben Corry 《Chemphyschem》2015,16(12):2562-2570
FRET spectroscopy is a promising approach for investigating the dynamics of G‐quadruplex DNA folds and improving the targeting of G‐quadruplexes by potential anticancer compounds. To better interpret such experiments, classical and replica‐exchange molecular dynamics simulations and fluorescence‐lifetime measurements are used to understand the behavior of a range of Cy3‐based dyes attached to the 3′ end of G‐quadruplex DNA. The simulations revealed that the dyes interact extensively with the G‐quadruplex. Identification of preferred dye positions relative to the G‐quadruplex in the simulations allows the impact of dye–DNA interactions on FRET results to be determined. All the dyes show significant deviations from the common approximation of being freely rotating and not interacting with the host, but one of the Cy3 dye analogues is slightly closer to this case. 相似文献
110.