全文获取类型
收费全文 | 82篇 |
免费 | 3篇 |
专业分类
化学 | 43篇 |
力学 | 1篇 |
数学 | 9篇 |
物理学 | 32篇 |
出版年
2021年 | 1篇 |
2020年 | 3篇 |
2018年 | 2篇 |
2017年 | 1篇 |
2016年 | 4篇 |
2015年 | 3篇 |
2014年 | 1篇 |
2013年 | 7篇 |
2012年 | 2篇 |
2010年 | 2篇 |
2009年 | 2篇 |
2008年 | 5篇 |
2007年 | 5篇 |
2006年 | 4篇 |
2005年 | 2篇 |
2004年 | 1篇 |
2002年 | 2篇 |
2001年 | 1篇 |
2000年 | 6篇 |
1998年 | 2篇 |
1997年 | 1篇 |
1996年 | 1篇 |
1994年 | 4篇 |
1993年 | 3篇 |
1992年 | 9篇 |
1991年 | 1篇 |
1990年 | 1篇 |
1986年 | 1篇 |
1985年 | 3篇 |
1984年 | 1篇 |
1977年 | 1篇 |
1975年 | 1篇 |
1973年 | 1篇 |
1972年 | 1篇 |
排序方式: 共有85条查询结果,搜索用时 31 毫秒
31.
Mihaly Mezei 《Journal of computational chemistry》1992,13(5):651-656
The polynomial path is introduced for the calculation of liquid state free energies. The well-characterized SPC, TIP4P, and MCY water models were used to demonstrate its efficiency, as well as its range of applicability in conjunction with Monte Carlo computer simulations using thermodynamic integration based on Gaussian quadratures. The technique employed is compared with the slow-growth method (another variant of thermodynamic integration), the perturbation method, and the use of the grand-canonical ensemble. 相似文献
32.
33.
34.
Jean M. J. Tronchet Christian Cottet Bernard Gentile Eva Mihaly Jean-Bernard Zumwald 《Helvetica chimica acta》1973,56(5):1802-1806
Several sugars with conjugated unsaturation (dienes or α, β-unsaturated carbonyl compounds) have been synthesised by use of Wittig reactions. Keto-sugars bearing a carbonyl group α to a furanose ring are prone to undergo an elimination leading to conjugated unsaturated systems. This constitutes a novel kind of side-reaction in the application of Wittig reactions to carbonyl sugars. The synthesis of a new kind of acetylenic sugar is also described. 相似文献
35.
P. C. Uden Susan M. Bird Mihaly Kotrebai Paula Nolibos Julian F. Tyson Eric Block Eric Denoyer 《Fresenius' Journal of Analytical Chemistry》1998,362(5):447-456
Consumption of selenium enriched plants or yeast-based nutritional supplements has been reported to provide anticarcinogenic
benefits which are selenium compound dependent. Separation and identification of these selenium compounds is critical to understand
the activity. Plants and yeast convert inorganic selenium in the soil or growth media into organoselenium compounds, probably
following a route similar to the sulfur assimilatory pathway. Non-volatile selenium compounds produced include selenoamino
acids, some of which have shown anticarcinogenic activity. Volatile compounds produced by chemical reaction of involatile
precursors have also been found. An ion pair chromatographic method with ICP-MS detection for the separation of selenoamino
acid standards potentially present in real samples is given. The method allows separation of selenoamino acids including such
analytes as the cis-trans isomers of Se-1-propenyl-dl-selenocysteine. The method also provides the capability of determining the presence of selenoxides and possibly selenones,
and tracking of other functionalities and reactions by selective derivatization. Alternatively, selenoamino acids are treated
with ethylchloroformate to produce stable volatile derivatives which are amenable to GC separation with element specific atomic
emission detection (GC-AED). Results of total selenium determination and speciation of selenium enriched yeast-based nutritional
supplements, selenium enriched allium vegetables and bioremediation samples are presented.
Received: 16 February 1998 / Revised: 4 June 1998 / Accepted: 9 June 1998 相似文献
36.
Treated with 2,3-dimethyl-2,3-bis-(hydroxylamino)-butane, aldehydo-dialdofuranoses ( 1 ) gave a mixture of two compounds: a 1,3-dihydroxyimidazolidine ( 2 ) and a 1-hydroxyimidazoline ( 3 ). Oxidation (PbO2) of compounds 3 gave stable free radicals having the structure of 2-C-Glycosyl-4,4,5,5-tetramethylimidazolines 1-oxyl ( 4 ), whereas 2-C-Glycosyl-4,4,5,5-tetramethylimidazolines 3-oxide 1-oxyl ( 5 ) were formed by oxidation of 2 . The ESR. spectra of compounds 4 and 5 establish the structure of the imidazoline part of these radicals and provide informations on the sugar moiety. 相似文献
37.
Mihaly Mezei 《Molecular physics》2013,111(6):1307-1315
The excess free energy and entropy of three water models (ST2, MCY and SPC) are determined using Monte Carlo thermodynamic integration, with soft spheres as a reference system. The method used is compared with two other methods, the umbrella sampling and the overlap ratio methods. A simple self check for the umbrella sampling method is proposed. 相似文献
38.
G.L. Carr R.J. Smith L. Mihaly H. Zhang D.H. Reitze D.B. Tanner 《Infrared Physics & Technology》2008,51(5):404-406
A Bruker model IFS 125HR Fourier transform interferometer has been installed and its performance tested using high-brightness, far-infrared synchrotron radiation. Results of absorption measurements for the rotational modes of water vapor demonstrate a nearly 10-fold improvement in signal-to-noise when compared with the instrument’s internal high-pressure Hg arc lamp source. 相似文献
39.
Poór B Michniewicz N Kallay M Buma WJ Kubinyi M Szemik-Hojniak A Deperasiñska I Puszko A Zhang H 《The journal of physical chemistry. A》2006,110(22):7086-7091
We have unraveled the effects of an amino substituent in the ortho position on the excited-state dynamics of 4-nitropyridine N-oxide by studying the picosecond fluorescence kinetics and femtosecond transient absorption of a newly synthesized compound, 2-butylamino-6-methyl-4-nitropyridine N-oxide, and by quantum chemical calculations. Similar to the parent compound, the S(1) state of the target molecule has significant charge-transfer character and shows a large (approximately 8000 cm(-1)) static Stokes shift in acetonitrile. Analysis of the experimental and the theoretical results leads, however, to a new scenario in which this intramolecular charge transfer triggers in polar, aprotic solvents an ultrafast (around 100 fs) intramolecular proton transfer between the amino and the N-O group. The electronically excited N-OH tautomer is subsequently subject to solvent relaxation and decays with a lifetime of approximately 150 ps to the ground state. 相似文献
40.
Simulating Complex Systems and Processes in LabVIEW 总被引:2,自引:0,他引:2