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Nonlinear dynamics of a Heisenberg ferromagnet 总被引:1,自引:0,他引:1
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Herrebout WA Gatin A Everaert GP Fishman AI van der Veken BJ 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(7):1431-1444
The formation of weak molecular complexes of cyclopentene with HCl and BF3, dissolved in liquid argon is investigated using infrared spectroscopy. Evidence is found for the formation of 1:1 complexes in which the Lewis acid under study binds to the CC double bond. At higher concentrations of HCl, weak absorption bands due to 1:2 species are also observed. From spectra recorded at different temperatures between 92 and 127 K, the complexation enthalpies for CP.HCl and CP.BF3 are determined to be -9.5(3) and -16.1(9) kJ mol-1, while for CP.(HCl)2 a value of -17.0(6) kJ mol-1 is obtained. For the 1:1 and 1:2 complexes, structural and spectral information is obtained from ab initio calculations at the MP2/6-31+G(d) level. Using free energy perturbation Monte Carlo simulations to calculate the solvation enthalpies and statistical thermodynamics to account for zero-point vibrational and thermal contributions, the complexation energies for CP.HCl and CP.(HCl)2 are estimated from the experimental complexation enthalpies to be -17.4(14) and -34.0(20) kJ mol-1, while the value for CP.BF3 was derived to be -23.4(22) kJ mol-1. The experimental complexation energies are compared with the theoretical values derived from the MP2/6-31+G(d) potential energy surfaces and with single point energies calculated at the MP2/6-311++G(3df,2pd) level. 相似文献
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Tyugaev M. D. Kharitonov A. V. Gazizov A. R. Fishman A. I. Salakhov M. Kh. Dedkova A. A. Alekseev A. M. Shelaev A. V. Kharintsev S. S. 《JETP Letters》2019,110(12):766-770
JETP Letters - The effects of enhancement of stimulated Raman scattering in titanium oxynitride (TiON) nanofilms are considered. The mechanism of giant amplification of a Stokes wave is based on,... 相似文献
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We employ dynamical mean-field theory to identify the materials properties that optimize T(c) for a generalized double-exchange model. We reach the surprising conclusion that T(c) achieves a maximum when the band angular momentum j equals 3/2 and when the masses in the m(j) = +/- 1/2 and +/-3/2 and subbands are equal. However, we also find that T(c) is significantly reduced as the ratio of the masses decreases from one. Consequently, the search for dilute-magnetic semiconductor materials with high T(c) should proceed on two fronts. In semiconductors with p bands, such as the currently studied Mn-doped Ge and GaAs semiconductors, T(c) may be optimized by tuning the band masses through strain engineering or artificial nanostructures. On the other hand, semiconductors with s or d bands with nearly equal effective masses might prove to have higher T(c)'s than p-band materials with disparate effective masses. 相似文献
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