全文获取类型
收费全文 | 258篇 |
免费 | 6篇 |
专业分类
化学 | 157篇 |
晶体学 | 3篇 |
力学 | 8篇 |
数学 | 21篇 |
物理学 | 75篇 |
出版年
2023年 | 3篇 |
2021年 | 3篇 |
2020年 | 5篇 |
2019年 | 4篇 |
2018年 | 3篇 |
2017年 | 3篇 |
2016年 | 7篇 |
2015年 | 6篇 |
2014年 | 5篇 |
2013年 | 7篇 |
2012年 | 14篇 |
2011年 | 15篇 |
2010年 | 3篇 |
2009年 | 8篇 |
2008年 | 10篇 |
2007年 | 10篇 |
2006年 | 9篇 |
2005年 | 14篇 |
2004年 | 8篇 |
2003年 | 11篇 |
2002年 | 12篇 |
2001年 | 3篇 |
2000年 | 3篇 |
1999年 | 3篇 |
1998年 | 3篇 |
1997年 | 4篇 |
1996年 | 6篇 |
1995年 | 5篇 |
1994年 | 6篇 |
1993年 | 7篇 |
1992年 | 9篇 |
1991年 | 3篇 |
1990年 | 6篇 |
1988年 | 4篇 |
1987年 | 2篇 |
1985年 | 2篇 |
1984年 | 3篇 |
1983年 | 3篇 |
1981年 | 3篇 |
1980年 | 4篇 |
1978年 | 2篇 |
1973年 | 3篇 |
1972年 | 2篇 |
1969年 | 2篇 |
1967年 | 1篇 |
1966年 | 3篇 |
1955年 | 1篇 |
1947年 | 1篇 |
1937年 | 2篇 |
1935年 | 1篇 |
排序方式: 共有264条查询结果,搜索用时 31 毫秒
261.
Cellulose as a novel amphiphilic coating for oil-in-water and water-in-oil dispersions 总被引:1,自引:0,他引:1
The amphiphilic character of cellulose molecules provides the opportunity to use it as a novel eco-friendly emulsifying agent for formation of stable oil-in-water or water-in-oil dispersions. This may be done by mixing water, oil and cellulose solution in an ionic liquid. A more practical alternative is to form first a hydrogel from the cellulose/ionic liquid solution by coagulation with water and applying it into the sonicated water/oil or oil/water mixtures. The dissolution/regeneration process affords higher mobility to the cellulose molecules so an encapsulating coating can be formed at the water-oil interface. A solid-state dispersion was obtained by drying liquid dispersions, which can be repeatedly dissolved in excess water reforming a sustainable dispersion. The damp dispersion can be blown under reduced pressure, yielding a nanoporous foam ("aerocellulose"). The n-eicosane based solid dispersion as well as the aqueous dispersion possess a very high effective heat-absorption capacity. X-ray diffraction patterns indicate that the encapsulating cellulose shell is indeed in the amorphous state. Small-angle diffraction patterns of n-eicosane dispersions exhibit two sharp reflections. One is due to the n-eicosane triclinic crystal bulk phase and the other at somewhat smaller angles is interpreted as due to less ordered phase, possibly due to interactions with the encapsulating cellulose. 相似文献
262.
Liljenberg M Brinck T Herschend B Rein T Tomasi S Svensson M 《The Journal of organic chemistry》2012,77(7):3262-3269
We have investigated practical and computationally efficient methods for the quantitative prediction of regioisomer distribution in kinetically controlled nucleophilic aromatic substitution reactions. One of the methods is based on calculating the relative stabilities of the isomeric σ-complex intermediates using DFT. We show that predictions from this method can be used quantitatively both for anionic nucleophiles with F(-) as leaving group, as well as for neutral nucleophiles with HF as leaving group. The σ-complex approach failed when the leaving group was Cl/HCl or Br/HBr, both for anionic and neutral nucleophiles, because of difficulties in finding relevant σ-complex structures. An approach where we assumed a concerted substitution step and used such transition state structures gave quantitatively useful results. Our results are consistent with other theoretical works, where a stable σ-complex has been identified in some cases, whereas others have been indicated to proceed via a concerted substitution step. 相似文献
263.
Jonas Rein Jonathan M. Meinhardt Dr. Julie L. Hofstra Wahlman Prof. Matthew S. Sigman Prof. Song Lin 《Angewandte Chemie (International ed. in English)》2023,62(17):e202218213
Nitrogen atom-rich heterocycles and organic azides have found extensive use in many sectors of modern chemistry from drug discovery to energetic materials. The prediction and understanding of their energetic properties are thus key to the safe and effective application of these compounds. In this work, we disclose the use of multivariate linear regression modeling for the prediction of the decomposition temperature and impact sensitivity of structurally diverse tetrazoles and organic azides. We report a data-driven approach for property prediction featuring a collection of quantum mechanical parameters and computational workflows. The statistical models reported herein carry predictive accuracy as well as chemical interpretability. Model validation was successfully accomplished via tetrazole test sets with parameters generated exclusively in silico. Mechanistic analysis of the statistical models indicated distinct divergent pathways of thermal and impact-initiated decomposition. 相似文献
264.
Dr. Ana M. Ortuño Dr. Pablo Reiné Prof. Luis Álvarez de Cienfuegos Dr. Irene R. Márquez Dr. Wynand Dednam Prof. Enrico B. Lombardi Prof. Juan J. Palacios Dr. Edmund Leary Prof. Giovanna Longhi Prof. Vladimiro Mujica Dra. Alba Millán Dra. M. Teresa González Linda A. Zotti Dra. Delia Miguel Prof. Juan M. Cuerva 《Angewandte Chemie (International ed. in English)》2023,62(16):e202218640
We report on the chemical design of chiral molecular junctions with stress-dependent conductance, whose helicity is maintained during the stretching of a single molecule junction due to the stapling of both ends of the inner helix. In the reported compounds, different conductive pathways are observed, with clearly different conductance values and plateau-length distributions, attributed to different conformations of the helical structures. The large chiro-optical responses and the potential use of these molecules as unimolecular spin filters have been theoretically proved using state-of-the-art Density Functional Theory (DFT) calculations, including a fully ab-initio estimation of the CISS-originating spin polarization which is done, for the first time, for a realistic molecular system. 相似文献