Prediction of the thermochemical properties of nitrogen-containing species: a quantum chemical calculation and group additivity approach

With the growing demand for nitrogen-containing sustainable fuels and propellants, accurately predicting their thermochemical properties has become increasingly important. While quantum chemical calculation (QC) methods and calorimetric experiments offer high precision, they are often time-consuming...

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Bibliographic Details

Main Authors:	Wang, Xin, Bruce, Frederick Nii Ofei, Ren, Xuan, Cheng, Siyu, Chen, Yinjun, He, Ruining, Bai, Xin, Liu, Shuyuan
Format:	Article
Published:	American Chemical Society 2025
Online Access:	http://psasir.upm.edu.my/id/eprint/120741/ https://pubs.acs.org/doi/10.1021/acs.jpca.5c01264
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