Calculation of Gas-phase Standard Formation Enthalpy via Ring-Preserved Connectivity-Based Hierarchy and Automatic Bond Separation Reaction Platform

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作者
Liu, Jian [1 ]
Wang, Runwen [2 ]
Tian, Jie [2 ]
Zhong, Kai [1 ]
Nie, Fude [1 ]
Zhang, Chaoyang [1 ,3 ]
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[1] Institute of Chemical Materials, China Academy of Engineering Physics, P.O. Box 919-311, Mianyang,Sichuan,621999, China
[2] School of Computer Science and Technology, Southwest University of Science & Technology, Sichuan, Mianyang,621010, China
[3] Beijing Computational Science Research Center, Beijing,100048, China
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  • [1] Calculation of Gas-phase Standard Formation Enthalpy via Ring-Preserved Connectivity-Based Hierarchy and Automatic Bond Separation Reaction Platform
    Liu, Jian
    Wang, Runwen
    Tian, Jie
    Zhong, Kai
    Nie, Fude
    Zhang, Chaoyang
    FUEL, 2022, 327