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941.
G. N. Dorofeenko Yu. P. Andreichikov É. A. Zvezdina V. A. Bren' G. E. Trukhan V. V. Derbenev A. N. Popova 《Chemistry of Heterocyclic Compounds》1974,10(10):1177-1181
The pyridinium ring as a substituent in aniline is an electron acceptor, the effect of which is comparable to the effect of NO2 and N(CH3)2 groups. Correlation of the reactivities with the basicities of the amino groups is not observed in the investigated reactions of N-(aminophenyl)pyridinium perchlorates with some electrophilic reagents, inasmuch as steric factors apparently play a greater role. 相似文献
942.
943.
A study of the electrochemical characteristics of cysteine and cystine was carried out by d.c., a.c. and differential pulse polarography. Up to three waves were observed depending on the concentration and pH. The waves of the two amino acids could be separated in a borate buffer of pH 9.2. Differential pulse polarography made it possible to determine as little 0.12 mg of cysteine and 0.24 mg of cystine per litre. 相似文献
944.
945.
N. C. Handy 《Theoretical chemistry accounts》1973,31(3):201-204
Boys and Handy [1] have discussed the solution of the bivariational equations with restricted numerical integration. One of the weaknesses of the method was that in the numerical summations over points, some points arose with r
ij= 0 and non-zero weights. This makes the method quite impractical for the Schrodinger Hamiltonian (because of the singularity at r
ij= 0), and it cannot be advantageous for the transcorrelated Hamiltonian C–1HC because there will be some discontinuous higher derivatives at r
ij=0. Here it is shown how the symmetry of cylindrically symmetric molecules can be used to eliminate such points, without losing any of the advantages of the overall method, such as the convergence of the eigensolutions. It is also shown how the primary numerical integration points (z
i, ri) may be chosen in any calculation such that each is associated with an equal amount of one-electron density. The choice of the angular coordinates are governed by the removal of the r
ij=0 points and maintaining the natural orthogonality between orbitals of different symmetry types. The method has been programmed and found to be practical, although no new molecular calculations have yet been performed. It is to be hoped that these points will give a basis for new transcorrelated calculations on diatomic molecules.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed. 相似文献
946.
947.
Russian Chemical Bulletin - 相似文献
948.
E. I. Klabunovskii N. P. Sokolova A. A. Vedenyapin Yu. M. Talanov N. D. Zubareva V. P. Polyakova N. V. Gorina 《Russian Chemical Bulletin》1972,21(10):2306-2306
Conclusions Skeletal ruthenium catalyst, modified with D-(+)-tartaric acid, leads to the asymmetric hydrogenation of the carbonyl group in acetoacetic ester.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 10, p. 2361, October, 1972. 相似文献
949.
950.