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5. An ab initio study of the potential energy surfaces of hydrocarbons in hot combustion conditions and

An ab initio study of the potential energy surfaces of hydrocarbons in hot combustion conditions and

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：efanest

【摘 要】

：

Potential Energy Surfaces(PES) of reactions of hydrocarbons relevant to combustion conditions and interstellar conditions were investigated using the automatic reaction route search method,the Global

【作 者】

：

A.Jamal K.Morokuma 

【机 构】

：

Fukui Institute for Fundamental Chemistry,Kyoto University,Kyoto 606-8103,Japan

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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Potential Energy Surfaces(PES) of reactions of hydrocarbons relevant to combustion conditions and interstellar conditions were investigated using the automatic reaction route search method,the Global Reaction Route Mapping(GRRM) strategy.

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