全文获取类型
收费全文 | 202篇 |
免费 | 0篇 |
专业分类
化学 | 181篇 |
力学 | 1篇 |
物理学 | 20篇 |
出版年
2018年 | 2篇 |
2016年 | 3篇 |
2013年 | 4篇 |
2012年 | 3篇 |
2011年 | 8篇 |
2010年 | 6篇 |
2009年 | 3篇 |
2008年 | 11篇 |
2007年 | 15篇 |
2006年 | 13篇 |
2005年 | 7篇 |
2004年 | 4篇 |
2003年 | 1篇 |
2001年 | 1篇 |
1999年 | 1篇 |
1998年 | 2篇 |
1997年 | 2篇 |
1996年 | 3篇 |
1995年 | 3篇 |
1994年 | 1篇 |
1992年 | 1篇 |
1991年 | 2篇 |
1990年 | 4篇 |
1989年 | 2篇 |
1988年 | 2篇 |
1987年 | 1篇 |
1986年 | 1篇 |
1985年 | 1篇 |
1984年 | 4篇 |
1983年 | 4篇 |
1982年 | 5篇 |
1981年 | 2篇 |
1979年 | 2篇 |
1978年 | 3篇 |
1977年 | 5篇 |
1976年 | 7篇 |
1975年 | 2篇 |
1974年 | 3篇 |
1973年 | 7篇 |
1972年 | 10篇 |
1971年 | 2篇 |
1970年 | 3篇 |
1969年 | 5篇 |
1968年 | 6篇 |
1967年 | 7篇 |
1966年 | 5篇 |
1965年 | 5篇 |
1964年 | 1篇 |
1963年 | 3篇 |
1961年 | 2篇 |
排序方式: 共有202条查询结果,搜索用时 15 毫秒
1.
2.
E. N. Sten V. F. Tarasov A. L. Buchachenko V. A. Grinenko V. A. Ustinov 《Russian Chemical Bulletin》1990,39(5):1075-1075
Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 5, p. 1195, May, 1990. 相似文献
3.
4.
Conclusions It was shown by the method of radical acceptors-stable nitroxyl radicals-that phosphoranyl radicals, formed in the reaction of tert-butylhydroperoxide with triethyl phosphite, are converted to phosphoranyl peroxide radicals in the presence of oxygen. The rate constant of formation of phosphoranyl peroxide radicals found at 20° is 250 times lower than the rate constant of the disproportionation of primary phosphoranyl radicals according to the reaction with the free radical.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 11, pp. 2454–2458, November, 1973. 相似文献
5.
6.
de Lara-Castells MP Buchachenko AA Delgado-Barrio G Villarreal P 《The Journal of chemical physics》2004,120(5):2182-2192
The interaction of He with Br2 in electronically excited B 3Piu state is investigated using spin-unrestricted single and double coupled-cluster approach with noniterative perturbative treatment of triple excitations. Internal electrons of the Br atom are described by effective core pseudopotentials. The validity of this approach is analyzed by comparing the lowest 2Sigma+ and 2Pi electronic states of the HeBr molecule with those obtained in all electron calculations [J. Chem. Phys. 115, 10438 (2001)]. In this context, we examine the performance of different basis sets and saturation with bond functions. The comparison of theoretical blue-shifts with the experiment provides confidence about the present ab initio calculations. In addition, He-Br results of ab initio calculations at the same level are used to obtain approximate He-Br2 (3Piu) interactions in the framework of the diatomics-in-molecule first order perturbation theory (IDIM-PT1) [J. Chem. Phys. 104, 9913 (1996)]. Overall, the IDIM-PT1 model results show a good agreement with the ab initio ones, being the main difference the sensitivity to the elongation of the Br-Br bond. 相似文献
7.
Buchachenko AA Tscherbul TV Kłos J Szcześniak MM Chałasiński G Webb R Viehland LA 《The Journal of chemical physics》2005,122(19):194311
Interaction potentials of the iodine atom, atomic cation, and anion with light rare-gas atoms from He to Ar are calculated within the unified ab initio approach using the unrestricted coupled-cluster with singles and doubles and perturbative treatment of triples correlation treatment, relativistic small-core pseudopotential, and an extended basis set. Ab initio points are fit to a flexible analytical function. The calculated potentials are compared with available literature data, assessed in the I(-)-and I+-ion mobility calculations and the Ar-I(-)-anion zero electron kinetic-energy spectra simulations, and analyzed using the correlation rules. The results indicate a high precision of the reported potentials. 相似文献
8.
E. M. Pliss M. E. Soloviev I. V. Tikhonov D. V. Loshadkin A. L. Buchachenko 《Russian Journal of Physical Chemistry B, Focus on Physics》2016,10(3):417-420
The enthalpy change of disproportionation reaction of nitroxyl and peroxyl radicals was calculated by the DFT B3LYP/cc-pVDZ method. The regeneration of the corresponding hydroxylamine during the oxidation of unsaturated compounds inhibited by nitroxyl radicals is shown to be associated with the disproportionation of the nitroxyl and peroxyl radicals. 相似文献
9.
A. A. Buchachenko A. Yu. Baisogolov N. F. Stepanov 《Journal of computational chemistry》1996,17(8):919-930
Vibrational and rotational decoupling approximations are tested in three-dimensional Fermi Golden Rule calculations on energies, lifetimes, and product state distributions of the vibrationally predissociating atom—diatom van der Waals complexes. The validity of approximate separations of diatom vibration, decoupling of stretching and bending intermolecular motions, and rotational infinite order sudden approximation for product scattering is characterized by comparison with the results of accurate calculations on the Ne ··· Cl2, Ne ··· ICl, and He ··· ICl systems. The most accurate approximate schemes are recommended. © 1996 by John Wiley & Sons, Inc. 相似文献
10.
The possibility of detection of the electron spin of a single paramagnetic species (an atom, a radical, or an ion) on the
surface was discussed. The analysis was based on spin chemistry laws taking into account the statistics of the spin states
of both the tunneling electron and paramagnetic center. The equations for the tunneling current as a function of temperature
and magnetic field strength were derived.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1732–1734, September, 1998. 相似文献