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2020年5月13日—Thetransitionstaterepresentsapointofsuchhighenergythatitcannotpossiblyexistforanylengthoftime.Asananalogy,thinkofa ...,itisusuallyassumedthatthereisatransitionstateofmorepositivemolarGibbsenergybetweenthereactantsandtheproductsthrou...
Prediction of transition state structures of gas
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由SChoi著作·2023·被引用17次—Inthispaper,amachinelearning(ML)modelforpredictingtheTSstructuresofgeneralorganicreactionsisproposed.Theproposedmodel ...
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