Prediction of the Condensed Phase Enthalpy of Formation of Nitroaromatic Compounds Using the Estimated Gas Phase Enthalpies of Formation by the PM3 and B3LYP Methods

Prediction of the Condensed Phase Enthalpy of Formation of Nitroaromatic Compounds Using the Estimated Gas Phase Enthalpies of Formation by the PM3 and B3LYP Methods

Mohsen OFTADEH, Mohammad Hossein KESHAVARZ and Razieh KHODADADI
Słowa Kluczowe: condensed phase enthalpy of formation, gas phase enthalpy of formation, nitroaromatic compounds, PM3, B3LYP
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