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Investigation of molecular carbonium ion rearrangements by the molecular mechanics method

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Vladimir Aleksandrovich Barkhash 1
Vladimir Aleksandrovich Barkhash
1 Novosibirsk Institute of Organic Chemistryof the Siberian Branch of Russian Academy of Sciences
10.1070/RC1992v061n11ABEH001017
Published 30 November 1991
Communication , Volume 61, Issue 11, 1077-1084
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Gatilov Y. V., Barkhash V. A. Investigation of molecular carbonium ion rearrangements by the molecular mechanics method // Russian Chemical Reviews. 1992. Vol. 61. No. 11. pp. 1077-1084.
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Gatilov Y. V., Barkhash V. A. Investigation of molecular carbonium ion rearrangements by the molecular mechanics method // Russian Chemical Reviews. 1992. Vol. 61. No. 11. pp. 1077-1084.
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TY - JOUR
DO - 10.1070/RC1992v061n11ABEH001017
UR - https://rcr.colab.ws/publications/10.1070/RC1992v061n11ABEH001017
TI - Investigation of molecular carbonium ion rearrangements by the molecular mechanics method
T2 - Russian Chemical Reviews
AU - Gatilov, Yury Vasil'evich
AU - Barkhash, Vladimir Aleksandrovich
PY - 1992
DA - 1991/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 1077-1084
IS - 11
VL - 61
ER -
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@article{1992_Gatilov,
author = {Yury Vasil'evich Gatilov and Vladimir Aleksandrovich Barkhash},
title = {Investigation of molecular carbonium ion rearrangements by the molecular mechanics method},
journal = {Russian Chemical Reviews},
year = {1992},
volume = {61},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC1992v061n11ABEH001017},
number = {11},
pages = {1077--1084},
doi = {10.1070/RC1992v061n11ABEH001017}
}
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Gatilov, Yury Vasil'evich, and Vladimir Aleksandrovich Barkhash. “Investigation of molecular carbonium ion rearrangements by the molecular mechanics method.” Russian Chemical Reviews, vol. 61, no. 11, Nov. 1992, pp. 1077-1084. https://rcr.colab.ws/publications/10.1070/RC1992v061n11ABEH001017.
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Abstract

The review considers problems of the application of the molecular mechanics method in the prediction of the conversion reactions of hydrocarbon carbonium ions with a localised charge. The methods for the estimation of the heights of the activation barriers to the 1,2-shift of the migrating species, the possibilities of the method for the prediction of the transannular cyclisation of carbonium ions, and certain examples of the influence of the acidity of the medium are discussed. The bibliography includes 47 references.