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181.
Summary The modifications induced by a magnetic field of arbitrary direction and intermediate strength (i.e not larger than 2.35·105 tesla, the ?atomic tesla?) on the lowest singlet and triplet energy states of the hydrogen molecule are studied. Using a
linear combination of products of field-modified atomic orbitals, it is found that increasing the field strength the depth
of the singlet energy well increases and the equilibrium internuclear distance decreases, yielding more rigid and localized
nuclear vibrations. For sufficiently strong fields perpendicular to the internuclear axis, the triplet state exhibits a bonding
behaviour. An explanation of the above results is given in terms of the field-modified electronic-charge distributions in
the internuclear region.
Based on the thesis submitted by S. Basile to the University of Palermo for graduation in Physics. 相似文献
182.
Satya Prakash 《Pramana》1989,33(1):109-131
This article summarizes the recent radiochemical investigations on mass, charge kinetic energy and fragment angular distributions
in low energy fission of actinides. 相似文献
183.
Orotic acid (vitamin B13) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C5H2N2O4)(NH3)2] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin. 相似文献
184.
In this short communication, we have evaluated the effect of thermal velocity of the plasma particles on the energy of resonantly
interacting energetic electrons with the propagating whistler mode waves as a function of wave frequency and L-value for the
normal and disturbed magnetospheric conditions. During the disturbed conditions when the magnetosphere is depleted in electron
density, the resonance energy of the electron enhances by an order of magnitude at higher latitudes, whereas the effect is
small at low latitudes. An attempt is made to explain the enhanced wave activity observed during magnetic storm periods. 相似文献
185.
The 57Fe Mössbauer technique has been used to investigate the effect of zinc oxide substitution in (25???x)MnO–xZnO–15Fe2O3–60B2O3 glass system (x?=?0, 5, 10, 15 and 20 mol% of ZnO ). Mössbauer absorption spectra for all the samples recorded at room temperature suggest the existence of the two paramagnetic quadrupole doublets. The observed variations in hyperfine parameters have been explained on the basis of cations distribution and exchange interaction at the lattice sites and it is concluded that B–B interaction increases while the metal–metal interaction decreases due to replacement of manganese oxide by zinc oxide. These results suggest that the present glass system exhibits a paramagnetic behaviour that changes towards the weak paramagnetic when manganese oxide was replaced with zinc oxide. 相似文献
186.
小球与均质自由杆的碰撞 总被引:2,自引:2,他引:0
讨论了小球与自由杆碰撞过程中所遵从的物理规律,明确了完全非弹性碰撞过程的能量特征,指出完全非弹性碰撞后两物体不一定粘在一起共同运动的事实. 相似文献
187.
使用“对称性匹配簇-组态相互作用”方法,对Li2分子三重态的第一激发态、LiH分子的基态、单重态的第一和第二激发态的几何构型与谐振频率进行了优化计算.利用“群操作求和”方法分别对这4个态进行单点能扫描计算,并拟合出了相应各态的Murrell-Sorbie势能函数.使用多种方法对Li2H分子的基态结构进行优化,并用优选出的密度泛函(B3P86)方法对该分子进行了进一步的频率计算.结果发现Li2H分子的基态稳态结构为C2v构型,在此基础上用多体项展式理论导出了它的解析势能函数,其等值势能图准确再现了Li2H分子的结构特征和离解能.首次报导了该分子对称伸缩振动等值势能图中存在的两个对称鞍点,对应于反应LiH Li→Li2H,活化能大约为18.7×4.184 KJ/mol. 相似文献
188.
189.
Raman spectra of ceramic Sr2Bi4Ti5O18 (SBTi5) are reported to consist of four different Raman bands. Temperature-dependent spectra reveal the relationship between the lattice vibration and the material's structure. There appears a relatively large change in structure of the material at about 273K, The anharmonic potential of the material has a great influence on its phonon mode full width at half maximum (FWHM), which can be expressed by a function of temperature. Theoretical fittings of the FWHMs for the two modes at around 312 cm^-1 and 464cm^-1 indicate that the latter phonon mode is more anharmonic than the former one. 相似文献
190.
需求势能理论的配送中心选址方法的研究 总被引:4,自引:0,他引:4
物流配送中心选址的合理性直接影响着物流分销网络规划和优化.提出了针对物流网点选址的需求势能理论,并提出了一种基于需求势能的分销物流系统中配送中心的选址实现方法.最后通过实例证明,该方法简便快捷,结果正确合理,为解决此类配送中心选址问题提供了科学的指导依据. 相似文献