Efficient and Accurate Charge Assignments via a Multilayer Connectivity-Based Atom Contribution (m-CBAC) Approach
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c01524
Abstract: Metal-organic frameworks (MOFs) have drawn considerable attention for their potential in a variety of energy applications such as gas separations and storage. With thousands of MOFs reported and mo... read more here.
Keywords: multilayer connectivity; assignments via; accurate charge; charge assignments ... See more keywords