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Dr. Wangqiang Shen Shuaifeng Hu Prof. Xing Lu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(26):5748-5757
Endohedral metallofullerenes (EMFs), namely fullerenes with metallic species encapsulated inside, represent an ideal platform to investigate metal–metal or metal–carbon interactions at the sub-nanometer scale by means of single-crystal X-ray diffraction (XRD) crystallography. Herein, recent progress in the identification of new structures and unprecedented properties are discussed according to the categories of monometallofullerenes, dimetallofullerenes, carbide clusterfullerenes, and nitride clusterfullerenes. In particular, the dimerization and the cage-isomer dependent oxidation state of the inner metal atom are summarized in terms of pristine monometallofullerenes. Metal–metal bonds involving lanthanide–lanthanides or actinide–actinides are discussed based on both experimental and theoretical studies. The cluster–cage matching and/or mutual selections, as well as the rarely seen M=C double bonds, are discovered in M2C2@C2n, U2C@C80, M2TiC@C80, and Ti3C3@C80. Subsequently, the geometries of different M3N clusters in various cages are discussed, revealing size-matching between the internal M3N cluster and the outer cage induced by the planarity of the cluster. Finally, an outlook regarding the future developments of the molecular structures and applications of EMFs is presented. 相似文献
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Mitsuru Yamada 《International journal of quantum chemistry》2004,99(3):127-141
Some results of computer simulation of the behavior of a one‐dimensional quantum mechanical oscillator are reported in this article. This harmonic oscillator comprises a particle trapped within a hyperbolic potential V(x) = x2. Further, a perturbation potential function V′(x, t) was superposed upon the hyperbolic potential in order to induce a quantum mechanical transition. This perturbation function V′(x, t) is a function of both of space and time variables, and is set to represent a wave packet that is enveloped by a Gaussian bell‐shaped curve. A wave that probably has an appropriate wave number and angular frequency was inputted into the expression for the wave packet. In the initial phase, while the harmonic oscillator was allowed to oscillate almost freely, the wave packet was allowed to approach the harmonic oscillator. In the middle phase, the wave packet passes through the harmonic oscillator, affecting the shape of the quantum mechanical wave that represents the physical state of the system. In the last phase, when the wave packet left the system of the harmonic oscillator, the system settled onto an energetically stable state. The main objective of the simulation was to simulate the instance of a quantum mechanical transition from one eigenstate to another. After several trials, it was found that the perturbation function consisting of a complex function was, at least superficially, able to cause one desired transition, that is, a transition from one eigenstate to another eigenstate. By using such a complex perturbation function, a transition from the first excited state to the ground state was observed to occur. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004 相似文献
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电磁场统一性质的三维描述 总被引:1,自引:0,他引:1
论述了电场与磁场本质上的统一性质,构造了三维空间中电磁场的统一场量,给出它的方程、场量的模方与能量和动量的关系,发现三维空间中的统一场量自身的标积竟然是相对论变换下的不变量. 相似文献
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The short-range correlation between nucleons in finite nuclei is investigated in high energy protonnucleus and α-nucleus elastic scattering in the framework of Glauber multiple scattering theory without any free parameters. The effects on the p-4He and 4He-12C elastic scattering, and in particular on the proton elastic scattering off hallo-like nuclei, 6,8He, are estimated. Our calculations show that the short-range correlations play an important role in reproducing experimental data and could be also thought of as being possible origin and nature of halo-like phenomena in the nuclear structure. More accurate calculations along this line are needed. 相似文献
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After finishing 102 replicate constant amplitude crack initiation and growth tests onLyl2-CZ aluminum alloy plate,a statistical investigation of the fatigue crack initiation and growthprocess is conducted in this paper.According to the post-mortem fractographic examination by scan-ning electron microscopy (SEM),some qualitative observations of the spacial correlation among fa-tigue striations are developed to reveal the statistical nature of material intrinsic inhomogeneity duringthe crack growth process.From the test data,an engineering division between crack initiation andgrowth is defined as the upper limit of small crack.The distributions of crack initiation life N.,growthlife N,and the statistical characteristics of crack growth rate da/dN are also investigated.It is hopedthat the work will provide a solid test basis for the study of probabilistic fatigue,probabilistic fracturemechanics,fatigue reliability and its engineering applications. 相似文献