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- W2793843491 abstract "Optimal-geometric structures of molecules was calculated with semi-empirical quantum-chemical methods. The heat of formation (ΔHf), the heat of reaction (ΔHex) was found. Numerical values of ΔHf was calculated theoretically is satisfactorily coincide with the data obtained experimentally." @default.
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- W2793843491 date "2015-01-01" @default.
- W2793843491 modified "2023-09-23" @default.
- W2793843491 title "Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids" @default.
- W2793843491 hasPublicationYear "2015" @default.
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