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251.
利用密度泛函理论(DFT)在B3LYP/6-311G++(d,p)水平上对溴化苄分子进行了结构优化和频率计算,得到了该分子的稳定构型和全部振动模式。计算得到的几何参数通过与苯分子的实验值相比,发现理论值与其相吻合;理论计算和实验测得的红外光谱数据的比较分析表明,理论计算与实验测量结果符合得较好,并对其振动模式进行了归属。最后,在B3LYP/6-311G++(d,p)水平上计算得到了溴化苄阳离子的红外光谱,并与溴化苄进行了比较,计算表明电离对振动偶极距产生了较大影响。 相似文献
252.
Moment redistribution in continuous reinforced concrete beams strengthened with carbon-fiber-reinforced polymer laminates 总被引:1,自引:0,他引:1
The results of tests on continuous steel-fiber-reinforced concrete (RC) beams, with and without an external strengthening,
are presented. The internal flexural steel reinforcement was designed so that to allow steel yielding before the collapse
of the beams. To prevent the shear failure, steel stirrups were used. The tests also included two nonstrengthened control
beams; the other specimens were strengthened with different configurations of externally bonded carbon-fiber-reinforced polymer
(CFRP) laminates. In order to prevent the premature failure from delamination of the CFRP strengthening, a wrapping was also
applied. The experimental results obtained show that it is possible to achieve a sufficient degree of moment redistribution
if the strengthening configuration is chosen properly, confirming the results provided by two simple numerical models.
Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 43, No. 5, pp. 667–686, September–October, 2007. 相似文献
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255.
Jørn J. Christiansen 《Journal of Molecular Spectroscopy》2005,231(2):131-136
The spectrum of cyanoformamide, NCCONH2, has been measured between 18 and 40 GHz using a Hewlett-Packard spectrometer with Stark modulation. The molecule is somewhat unstable and could most conveniently be measured in a flow system. The quadrupole hyperfine structure due to the two nitrogen nuclei has been analyzed for the ground state, and quadrupole coupling constants, rotational constants, and centrifugal distortion constants have been determined for the ground state. A rough determination of the components of the electric dipole moment was possible from the Stark shifts of suitable transitions. 相似文献
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258.
We present a development of the Hamiltonian, dipole moment, and polarizability operators for XY3Z molecules. These rovibrational operators are written with the aid of a tensorial formalism derived from the one already used in Dijon and adapted to the XY3Z symmetric tops in a recent paper [A. El Hilali, V. Boudon, M. Loëte, J. Mol. Spectrosc. 234 (2005) 166-174]. We use the O (3) ⊃ C∞v ⊃ C3v group chain. Expressions for the matrix elements are derived for these operators. 相似文献
259.
A perturbation theory of polar hard Gaussian overlap fluid mixture is discussed. Explicit analytic expressions for the second
and third varial coefficients are given. Numerical results are estimated for the thermodynamic properties of quadrupolar hard
Gaussian overlap fluid and fluid mixture. It is found that the excess free energy and internal energy depend on concentrationsc
1,c
2, molecular diameter ratioR, shape parameterK and the quadrupole momentsQ*1,Q*2. 相似文献
260.
Martin Dowd 《Mathematical Logic Quarterly》1993,39(1):79-95
Adding higher types to set theory differs from adding inaccessible cardinals, in that higher type arguments apply to all sets rather than just ordinary ones. Levy's reflection axiom is justified, by considering the principle that we can pretend that the universe is a set, together with methods of Gaifman [8]. We reprove some results of Gaifman, and some facts about Levy's reflection axiom, including the fact that adding higher types yields no new theorems about sets. Some remarks on standard models are made. An obvious strengthening of Levy's axiom to higher types is considered, which implies the existence of indescribable cardinals. Other remarks about larger cardinals are made; some questions of Gloede [9] are settled. Finally we argue that the evidence for V = L is strong, and that CH is certainly true. MSC: 03E30, 03E55. 相似文献