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The binding energy of excitonium negative ion for ground 1S-state in bulk conductors: Ge, Si, CdSe and for green and yellow lines of Cu2O in hyperspherical coordinate method are found. Angular and radial correlations between electrons are taken into account by the channel functions, which are the eigen-functions of operator on the surface of sphere in six-dimensional sphere. The calculation of energies have been done using the adiabatic and Born-Oppenheimer approximations. In Born-Oppenheimer approximation is enough to give a binding energy with only 1.2% error, in adiabatic approximation this error drops to 0.7 %. 相似文献
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The reaction of 2-allyl(propargyl)oxyquinoline-3-carbaldehydes with halogens gives 1-bromomethyl(bromomethylidene)-4-formyl-1,2-dihydrooxazolo[3,2-a]quinolinium
halides.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1204–1207, August, 2007. 相似文献
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Interaction of 2-methallyl(propargyl)thioquinoline-3-carbaldehydes with halogens leads to the formation of 4-formyl-1-halomethyl(halomethylidene)-1,2-dihydrothiazolo[3,2-a]quinolinium halides. 相似文献
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The energy of ground1,3S-states of negative positronium ion in the hyperspherical coordinates method has been calculated in Born-Oppenheimer and
adiabatic approximations accounting the contribution of angle and radial correlation. Quasi-crossing points for autodetaching
adiabatic potentials were revealed, which forms a structure in nonadiabatic potential. The received energy values have been
compared with results of calculations performed using other methods. It was shown that in order to receive energy values with
accuracy of 10−4 a.u. it is necessary to include more than 70 elements into the basis for determination of adiabatic potentials or to use
Padé approximation on the basis dimension.
Presented at the 11th Colloquium “Quantum Groups and Integrable Systems”, Prague, 20–22 June 2002.
The work is supported by the Slovak Agency for Science, Grant 2/7157/20. 相似文献
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M. Yu. Onysko O. V. Svalyavin A. V. Turov V. G. Lendel 《Chemistry of Heterocyclic Compounds》2008,44(7):872-875
The reaction of 4-imino-1-methyl-5-phenyl-6-propargylthio-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine with halogens leads to
the formation of (Z)-8-halomethylene-4-imino-1-methyl-5-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,3-e][1,3]thiazolo[3,2-a]pyrimidinium
trihalide.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 7, pp. 1085–1088, July, 2008. 相似文献
7.
Russian Journal of Organic Chemistry - 3-(2-Methylprop-2-en-1-yl)-2-sulfanylidene-7-(trifluoromethyl)-2,3-dihydroquinazolin-4(1H)-one reacted with halogens (bromine and iodine), chalcogen... 相似文献
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Reaction of 4-imino-1-methyl-5-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-6-thione with unsaturated alkyl halides gives 4-imino-6-methallylthio(cinnamylthio, allylthio)-1-methyl-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidines. 相似文献
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Kut M. M. Onysko M. Yu. Suikov S. Yu. Lendel V. G. 《Russian Journal of Organic Chemistry》2020,56(10):1711-1715
Russian Journal of Organic Chemistry - 3-Phenyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one reacted with 4-methoxyphenyltellurium trichloride in a... 相似文献
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