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Updated: Jul 28, 2025

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer
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Published on: February 19, 2018

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燃烧物种的运输参数基于cAMOEBA的偏振力场

Xiaomin Lin1,2, Wei Wang1, Bing He3

  • 1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, People's Republic of China.

Journal of chemical theory and computation
|June 5, 2023
PubMed
概括

一个新的通用偏振力场,燃烧-AMOEBA (cAMOEBA),简化了燃烧的分子建模. 这种方法避免了复杂的参数化,使各种分子的精确,高通量计算能够以降低的计算成本.

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