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1.
1. | From MNDO quantum chemical calculations, opening of the episulfonium ion ring by neutral nucleophiles X (X=NH3 and HCN) and related SN2 reactions of protonated methylthiol (PMT) with X proceed through formation of pre-reaction complexes in which X is coordinated either at the reacting C atom or (only in opening of episulfonium ion rings) at the center of the C-C bond. |
2. | In their electronic structure, the transition states for the reactions are reminiscent of a carbocation simultaneously reacting with the attacking and the leaving nucleophilic fragments (X S). |
3. | Opening of episulfonium ion rings proceeds slightly more easily (Ea 10–12 kcal/mole) than substitution in PMT (Ea 22–25 kcal/mole). The ease of ring opening for episulfonium ions is due to the large exothermicity of the reaction and the lower internal activation barrier compared with SN2 reactions in PMT. |
2.
Based on the relativistic Logunov–Tavkhelidze equation, we obtain the mass spectra and probabilities of radiative decays of heavy quarkonia in the framework of the constituent quark model of hadrons. 相似文献
3.
Mass spectra and semileptonic decay rates of baryons consisting of two heavy (b or c) and one light quark are calculated in the framework of the relativistic quark model. The doubly heavy baryons are treated in the quark-diquark approximation. The ground and excited states of both the diquark and quark-diquark bound systems are considered. The quark-diquark potential is constructed. The light quark is treated completely relativistically, while the expansion in the inverse heavy-quark mass is used. The weak transition amplitudes of heavy diquarks bb and bc going, respectively, to bc and cc are explicitly expressed through the overlap integrals of the diquark wave functions in the whole accessible kinematic range. The relativistic baryon wave functions of the quark-diquark bound system are used for the calculation of the decay matrix elements, the Isgur-Wise function, and decay rates in the heavy-quark limit. 相似文献
4.
One-loop nuclear-structure-induced corrections of order (Zα)5 to the Lamb shift and to the hyperfine structure of deuterium are calculated. The contribution of deuteron-structure effects to the (ep)-(ed) and (μp)-(μd) isotopic shifts for the 1S–2S splitting is obtained with the aid of modern experimental data on the electromagnetic form factors for the deuteron. A comparison with the analogous contributions to the Lamb shift for ordinary and muonic hydrogen shows that the relative contribution of corrections associated with the nuclear structure increases as we go over from the hydrogen to the deuterium atom owing to the growth of the nuclear size. 相似文献
5.
We report on the accuracy of the measurement of the total cross section of the process e+e– ZH and of the Higgs boson mass that would be achieved in a linear collider operating at a centre-of-mass energy of 350 GeV, assuming an integrated luminosity of 500 fb–1. For that we have exploited the recoil mass off the Z using its leptonic decays into electron and muon pairs. The Higgs mass is determined with 150 MeV accuracy, the recoil mass resolution is about 1.5 GeV and the cross section is obtained with a statistical error of 3%. 相似文献
6.
S. E. Boganov M. P. Egorov V. I. Faustov I. V. Krylov O. M. Nefedov R. Becerra R. Walsh 《Russian Chemical Bulletin》2005,54(3):483-511
The results of time resolved gas phase studies of labile germylenes (GeH2 and GeMe2) and dimethylstannylene (SnMe2) reactions reported to date are considered together with data of quantum-chemical investigations of the potential energy surfaces of these systems. Reaction mechanisms are discussed. A comparison of reactivity in the series of carbene analogs, ER2 (E = Si, Ge, Sn, R = H, Me), is made.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 477–505, March, 2005. 相似文献
7.
N. A. Boikova S. V. Kleshchevskaya Yu. N. Tyukhtyaev R. N. Faustov 《Theoretical and Mathematical Physics》2006,149(3):1578-1590
Using a modified quasipotential perturbation theory, we study the value of the fine shift of the energy S levels of hydrogen-like
atoms due to the two-photon Coulomb interactions and the dependence of this value on the particle mass ratio parameter.
__________
Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 149, No. 3, pp. 325–338, December, 2006. 相似文献
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