Sequent Molecular Dynamics SimulationsA Strategy for Complex Chemical Reactions and a Case Study on

来源 :中国化学会第二届全国燃烧化学学术会议 | 被引量 : 0次 | 上传用户:fighterok
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  The fundamental core of chemistry is to create new substances,and numerous complex reactions may be involved in chemical conversions.Nevertheless,clarifying the mechanisms of these complex reactions remains challenging,thereby causing insufficiencies in the fundamentals to guide new substance creation.This work proposes and emphasizes a strategy of sequent molecular dynamics simulations(SMDSs)toward complex chemical reactions.
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