Quantum Chemical Modeling of Propellant Degradation

Vallejo, JLG; Tow, GM; Maginn, EJ; Pham, BQ; Datta, D; Gordon, MS

Gordon, MS (通讯作者),Iowa State Univ, Dept Chem, Ames Lab, Ames, IA 50014 USA.

JOURNAL OF PHYSICAL CHEMISTRY A, 2023; 127 (8): 1874

Abstract

An ab initio quantum chemical approach for the modeling of propellant degradation is presented. Using state-of-the-art bonding analysis techniques and......

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