Predictive Automated Combustion Chemistry: from Molecule to Rate Coefficients using KinBot Van De Vijver, Ruben; Zador, Judit Abstract not provided. More Details TYPE Conference Poster YEAR 2018 OSTI
KinBot: Automated stationary point localization on potential energy surfaces Van De Vijver, Ruben; Zador, Judit Abstract not provided. More Details TYPE Conference Poster YEAR 2018 OSTI