TY - RPRT TI - New Quantum Mechanics Based Methods for Multiscale Simulations with Applications to Reaction Mechanisms for Electrocatalysis AU - Goddard, William A. PY - 2020 DO - 10.1007/s11244-020-01369-x UR - https://www.osti.gov/biblio/1850860 ID - 1850860 ER -