Abstract
The quantum-chemical MINDO/3-HB method has been shown to be applicable for correct description of the energy barrier of intramolecular proton transfer in malonaldehyde.
Abstract
Показано, что квантовохимический метод MINDO/3-HB правильно описывает энергетический барьер внутримолеку-лярного переноса протона в малоновом диальдегиде.
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Zhanpeisov, N.U., Zhidomirov, G.M. Application of MINDO/3-HB method to evaluation of activation energy of intramolecular proton transfer in malonaldehyde. React Kinet Catal Lett 38, 395–397 (1989). https://doi.org/10.1007/BF02062137
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DOI: https://doi.org/10.1007/BF02062137