EFFECTIVE CORE POTENTIALS; DENSITY-FUNCTIONAL THEORY; MOLECULAR-ORBITAL METHODS; AUGMENTED-WAVE METHOD; GAUSSIAN-TYPE BASIS; MOLYBDENUM-DISULFIDE; HYDROGEN EVOLUTION; ORGANIC-MOLECULES; MAXIMUM HARDNESS; SINGLE-CRYSTAL
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.140, no.42, pp.13663 - 13671
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.