DOE OSTI2022Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N( 4 S u ) + C 2 ( a 3 Π u ) → CN( X 2 Σ + ) + C( 3 P g ) ReactionNot provided.Chemistry↗
DOE OSTI2020Theoretical Investigations of Rate Coefficients for H + O 3 and HO 2 + O Reactions on a Full-Dimensional Potential Energy SurfaceNot provided.Chemistry↗
DOE OSTI2020A Global Full-Dimensional Potential Energy Surface for the K 2 Rb 2 Complex and Its LifetimeNot provided.Chemistry↗