全文获取类型
收费全文 | 228篇 |
免费 | 3篇 |
国内免费 | 2篇 |
专业分类
化学 | 118篇 |
晶体学 | 2篇 |
数学 | 21篇 |
物理学 | 92篇 |
出版年
2021年 | 3篇 |
2019年 | 2篇 |
2018年 | 2篇 |
2017年 | 2篇 |
2016年 | 2篇 |
2014年 | 5篇 |
2013年 | 12篇 |
2012年 | 12篇 |
2011年 | 10篇 |
2010年 | 4篇 |
2009年 | 5篇 |
2008年 | 8篇 |
2007年 | 9篇 |
2006年 | 10篇 |
2005年 | 12篇 |
2004年 | 6篇 |
2003年 | 5篇 |
2002年 | 4篇 |
2001年 | 5篇 |
2000年 | 3篇 |
1999年 | 5篇 |
1998年 | 5篇 |
1997年 | 1篇 |
1996年 | 4篇 |
1995年 | 5篇 |
1994年 | 7篇 |
1993年 | 2篇 |
1992年 | 9篇 |
1991年 | 4篇 |
1990年 | 10篇 |
1989年 | 5篇 |
1988年 | 6篇 |
1987年 | 3篇 |
1986年 | 3篇 |
1985年 | 2篇 |
1984年 | 4篇 |
1983年 | 2篇 |
1982年 | 5篇 |
1981年 | 3篇 |
1980年 | 5篇 |
1979年 | 1篇 |
1978年 | 3篇 |
1977年 | 1篇 |
1976年 | 2篇 |
1975年 | 1篇 |
1974年 | 1篇 |
1935年 | 2篇 |
1930年 | 4篇 |
1929年 | 3篇 |
1916年 | 2篇 |
排序方式: 共有233条查询结果,搜索用时 23 毫秒
21.
22.
Schumm BA Koetke DS Adolphsen CE Alexander JP Averill D Barish BC Barklow T Barnett BA Blockus D Boyarski A Brabson B Breakstone A Bulos F Burchat PR Burke DL Cence RJ Chapman J Chmeissani M Cords D Coupal DP Dauncey P DeStaebler HC Dorfan JM Drell PS Drewer DC Durrett D Elia R Feldman GJ Field RC Ford WT Fordham C Frey R Fujino D Gan KK Gero E Gidal G Glanzman T Goldhaber G Gomez Cadenas JJ Gratta G Hanson G Harr R Harral B Harris FA Hayes K Hearty C Heusch CA Hildreth MD Himel T Hinshaw DA 《Physical review D: Particles and fields》1992,46(1):453-456
23.
Equilibrium molecular dynamics (MD) simulations have been performed in both the NVT and NPT ensembles to study the structural and dynamical properties of fully occupied methane clathrate hydrates at 50, 125, and 200 K. Five atomistic potential models were used for water, ranging from fully flexible to rigid polarizable and nonpolarizable. A flexible and a rigid model were utilized for methane. The phonon densities of states were evaluated and the localized rattling modes for the methane molecules were found to couple to the acoustic phonons of the host lattice. The calculated methane density of states was found to be in reasonable agreement with available experimental data. 相似文献
24.
Sean English Pamela Gordon Nathan Graber Abhishek Methuku Eric C. Sullivan 《Discrete Mathematics》2019,342(6):1738-1761
Given a graph , a hypergraph is a Berge- if it can be obtained by expanding each edge in to a hyperedge containing it. A hypergraph is Berge--saturated if does not contain a subhypergraph that is a Berge-, but for any edge , does. The -uniform saturation number of Berge- is the minimum number of edges in a -uniform Berge--saturated hypergraph on vertices. For this definition coincides with the classical definition of saturation for graphs. In this paper we study the saturation numbers for Berge triangles, paths, cycles, stars and matchings in -uniform hypergraphs. 相似文献
25.
Towards the design of novel boron‐ and nitrogen‐substituted ammonia‐borane and bifunctional arene ruthenium catalysts for hydrogen storage 下载免费PDF全文
Sateesh Bandaru Niall J. English Andrew D. Phillips J.M.D. MacElroy 《Journal of computational chemistry》2014,35(12):891-903
Electronic‐structure density functional theory calculations have been performed to construct the potential energy surface for H2 release from ammonia‐borane, with a novel bifunctional cationic ruthenium catalyst based on the sterically bulky β‐diketiminato ligand (Schreiber et al., ACS Catal. 2012, 2, 2505). The focus is on identifying both a suitable substitution pattern for ammonia‐borane optimized for chemical hydrogen storage and allowing for low‐energy dehydrogenation. The interaction of ammonia‐borane, and related substituted ammonia‐boranes, with a bifunctional η6‐arene ruthenium catalyst and associated variants is investigated for dehydrogenation. Interestingly, in a number of cases, hydride‐proton transfer from the substituted ammonia‐borane to the catalyst undergoes a barrier‐less process in the gas phase, with rapid formation of hydrogenated catalyst in the gas phase. Amongst the catalysts considered, N,N‐difluoro ammonia‐borane and N‐phenyl ammonia‐borane systems resulted in negative activation energy barriers. However, these types of ammonia‐boranes are inherently thermodynamically unstable and undergo barrierless decay in the gas phase. Apart from N,N‐difluoro ammonia‐borane, the interaction between different types of catalyst and ammonia borane was modeled in the solvent phase, revealing free‐energy barriers slightly higher than those in the gas phase. Amongst the various potential candidate Ru‐complexes screened, few are found to differ in terms of efficiency for the dehydrogenation (rate‐limiting) step. To model dehydrogenation more accurately, a selection of explicit protic solvent molecules was considered, with the goal of lowering energy barriers for H‐H recombination. It was found that primary (1°), 2°, and 3° alcohols are the most suitable to enhance reaction rate. © 2014 Wiley Periodicals, Inc. 相似文献
26.
Non-equilibrium molecular dynamics (NEMD) simulations have been performed for static electric fields for a range of positively charged spherical rutile-titania nanoparticles with radii of 1.5 to 2.9 nm for two different salt concentrations in water, in order to simulate electrophoresis directly. Using the observed limiting drag velocities, Helmholtz-Smoluchowski (HS) theory was used to estimate their ζ potentials. These estimates were compared to values from numerical solution of the non-linear Poisson-Boltzmann (PB) equation for representative configurations of the nanoparticles, in addition to idealised analytic and Debye-Hückel (DH) solutions about spherical particles of the same geometry and charge state, for the given salt concentrations. It was found that reasonable agreement was obtained between the various approaches, with the NEMD-HS results some 15%-15% smaller than the numerical PB results for more highly charged nanoparticles. 相似文献
27.
Two strong laser-excited fluorescence systems are observed in rare gas matrices containing Sn. Evidence is presented suggesting assignment of the emission to Sn2. The fluorescence spectrum provides a value of 188 cm?1 for the ground-state vibrational frequency of this diatomic molecule. 相似文献
28.
29.
Bi, Bi2, Bi4, and possibly Bi3 in inert-gas matrices were observed and characterized. Their spectra exhibit negligible shifts from matrix to matrix and, when known, from gas to matrix. The Bi2 Raman frequency in Ne is measured at 173 ± 1 cm?1, in excellent agreement with the gas phase. 相似文献
30.