Zobrazeno 1 - 10 of 92 pro vyhledávání: '"V. I. Dostovalova"'
1
The increment scheme for the prediction of13C NMR chemical shifts in polychlorinated dibenzo-p-dioxins
Autor: V. I. Dostovalova, L. A. Fedorov
Publikováno v: Russian Chemical Bulletin. 44:271-275
A topological method for the calculation of13C NMR chemical shifts was developed for polychlorinated dibenzo-p-dioxins (PCDD). Based on previous results for polychlorinated benzenes and polyhydroxybenzenes, the collective influence of the substituent
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7af4438f8e9d9def49a2b48b026da8cc
https://doi.org/10.1007/bf00702134
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2
Structures of polychlorinated naphthalenes and oxynaphthalenes and their13C NMR chemical shifts
Autor: V. I. Dostovalova, L. A. Fedorov
Publikováno v: Russian Chemical Bulletin. 43:574-577
The increment scheme for calculating chemical shifts of polysubstituted naphthalenes is based on 1- and 2-substituted heterosubgraphs which describe the main part of the substituent effect. The influence of several substituents on13C NMR chemical shi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e26a4df2b0ef531410e2977384cf0634
https://doi.org/10.1007/bf00699826
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3
Simulation of13C NMR chemical shifts for polychlorinated and polybrominated oxybenzenes with two-particle increment scheme
Autor: V. I. Dostovalova, Y. Knuutinen, Jaakko Paasivirta, Erkki Kolehmainen, L. A. Fedorov
Publikováno v: Russian Chemical Bulletin. 43:566-573
A two-particle system of OY-Cl and OY-Br mixed increments for predicting13C NMR chemical shifts of polyhalogenated polyoxybenzenes has been developed. It has been found that only theortho- and para-interactions of the OY and Hal substituents contribu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fc13bf4d37daf278d80a662e693dfa88
https://doi.org/10.1007/bf00699825
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7
Prediction of the carbon-13 NMR chemical shifts of polysubstituted benzenes with homogeneous substituents
Autor: Jaakko Paasivirta, L. A. Fedorov, V. I. Dostovalova
Publikováno v: Magnetic Resonance in Chemistry. 29:830-833
A new incremental scheme for the calculation of the 13C NMR chemical shifts in polysubstituted benzenes with homogeneous substituents was derived and applied to spectral prediction for C6XnH6−n where XCH3, C2H5, i-C3H7, CF3, F, Cl, Br, COOH. Owing
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c50e1a7d6655f4d23f14ae5b9cc71763
https://doi.org/10.1002/mrc.1260290814
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8
Topological incremental scheme for calculating13C NMR chemical shifts in polysubstituted benzenes with substituents of one kind
Autor: V. I. Dostovalova, L. A. Fedorov
Publikováno v: Journal of Structural Chemistry. 32:208-214
A new topological approach to predicting the13C NMR chemical shifts of polysubstituted benzenes has been proposed (in the example case of compounds with substituents of one kind of the type C6H6−nXn). The collective interactions of several substitu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::85b21d233ead5cdb1b15e34e125b53a8
https://doi.org/10.1007/bf00777189
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9
Representation of13C NMR chemical shifts in polychlorobromomethanes using a distance matrix for the heterosystems
Autor: V. I. Dostovalova
Publikováno v: Bulletin of the Academy of Sciences of the USSR Division of Chemical Science. 39:49-51
On the basis of a distance matrix for heterosystems, we propose a form for the topological dependence for the carbon NMR chemical shifts in polyhalomethanes.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0ae4bff8d48b76c82615d1e29bdb3f39
https://doi.org/10.1007/bf00963001
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