Electrostatics for probing lone pairs and their interactions
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25082
Abstract: The value of the molecular electrostatic potential minimum (Vmin) and its topographical features (position, as well as the eigenvalues and eigenvectors of the corresponding Hessian matrix) are recently proposed as the criteria for characterizing a… read more here.
Keywords: lone; lone pair; electrostatics; electrostatics probing ... See more keywords