Adaptation of the Ureymdash;Bradley Force Field to NH3, PH3, SbH3, and AsH3

摘要

It has been pointed out previously that the Ureymdash;Bradley force field (UBFF) is not a satisfactory potential function for ammonia. However, a modification of the basic UBFF, based on consideration of the lone pair of electrons, has been shown to be a useful force field for the Group V hydrides.