机译:Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods
Univ Texas El Paso;
Univ Pittsburgh;
Cent Michigan Univ;
DENSITY-FUNCTIONAL THEORY; MAIN-GROUP THERMOCHEMISTRY; HYDROGEN ABSTRACTION; DATABASE; APPROXIMATION; APPLICABILITY; DISSOCIATION; PREDICTION; KINETICS; ORBITALS;