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Predictive Automated Combustion Chemistry: from Molecule to Rate Coefficients using KinBot

Van de Vijver, Ruben V.; Zador, Judit Z.

Abstract not provided.

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TYPE Conference Poster YEAR 2018

OSTI

KinBot: Automated stationary point localization on potential energy surfaces

Van de Vijver, Ruben V.; Zador, Judit Z.

Abstract not provided.

More Details

TYPE Conference Poster YEAR 2018

OSTI