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1.
An electrostatic bond energy model is formulated to fit the enthalpies of formation and dipole moments of the alkanes and chloroalkanes. In this model, the charge distributions are calculated by an electrostatic approach similar to the "MSE" method, and the enthalpy of formation of a molecule is the sum of the bond energy terms plus the electrostatic energy of the interactions between the charges on all atoms. All parameters of this model are obtained by parameterization. The calculated dipole moments for 13 chloroalkanes and enthalpies of formation for 19 alkanes and non-geminal chloroalkanes agree with the determined values very well. To calculate the enthalpies of formation of geminal chloroalkanes, a correction mainly attributed to the van der Waals interactions in the geminal substituted group, about 24 kJ/mol per pair of geminal chlorine atoms, is introduced. 相似文献
2.
In this study, a coupled-channel (CC) analysis of the elastic and the inelastic scattering of 20.4 MeV polarized protons from
a 64Zn target leading to the deformed 2 + , 3 −, 22+2_2^+ states was performed. The CC potential parameters and the deformation parameters of the excited states corresponding to the
best fit to the experimental differential cross-sections and the analysing powers data were determined. For 22+2_2^+ excited state, a mixed type was used and a good fit to the data was provided. The CC calculation results were compared to
the pure distorted wave Born approximation (DWBA) calculation results which were calculated using the new parameters. All
calculations were conducted using the computer code ECIS06. 相似文献
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XU Lixing MING Hai AN Wei Zhang Xiaosi wang anting LI Wei WANG Li XIE Jianping Wu Yunxia Lin Zunqi Chen Lanrong CHEN Bai CHEN Shaohe Yin Hongbing Liu Youxin 《中国光学快报(英文版)》2000,9(5)
An all-fiber Yb-doped Q-switched fiber ring laser system is reported. The laser system uses an all-fiber M-Z interferometer which plays both roles of Qswitch and tunable filter. Theoretical analysis and primary experimental results are given. A continuous tuning range 6fover 7 nm (from 1035 nm to 1042 nm) and a very stable pulse train with repetition rates exceeding 3 kHz and pulse width of 1.1μs were obtained. The laser system shows low cavity loss and is stable. 相似文献
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AN Hong-Li LI Yong-Zhi CHEN Yong 《理论物理通讯》2008,50(9):568-574
In this paper, we directly extend the applications of the Adomian decomposition method to investigate the complex KdV equation. By choosing different forms of wave functions as the initial values, three new types of realistic numerical solutions: numerical positon, negaton solution, and particularly the numerical analytical complexiton solution are obtained, which can rapidly converge to the exact ones obtained by Lou et al. Numerical simulation figures are used to illustrate the efficiency and accuracy of the proposed method. 相似文献
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Semih DOAN Süreyya Ouz TÜMAY Ceylan MUTLU BALCI Serkan YELOT Serap BEL 《Turkish Journal of Chemistry》2020,44(1):31
In this study, a series of cyclotriphosphazene derivatives containing a Schiff base (3a–3d) were synthesized by the reactions of hexachlorocyclotriphosphazene (1) with bis-aryl Schiff bases ( 2a – 2d ) having different terminal groups (H, F, Cl, and Br). The products ( 3a – 3d ) were characterized by elemental and mass analyses, FT-IR, and 1 H, 13 C, and 31 P NMR spectroscopies. Furthermore, the structure of compound 3a was also determined by X-ray crystallography. The thermal behaviors and the spectral properties of the new cyclotriphosphazene compounds ( 3a – 3d ) were investigated and the results were compared in the series. 相似文献