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Cover Image, Volume 35, Issue 15
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23627
Subject(s) - cover (algebra) , pairwise comparison , image (mathematics) , citation , graph , context (archaeology) , computer science , information retrieval , combinatorics , chemistry , geography , theoretical computer science , mathematics , library science , artificial intelligence , archaeology , engineering , mechanical engineering
The study by Solen Ekesan, Seyit Kale, and Judith Herzfeld on page 1159 (DOI: 10.1002/jcc.23612 ) demonstrates that context‐independent, pairwise interactions can describe the aufbau of diverse elements, including Hund's rule, the energies of electron transfers between atoms, and the spatial disposition of electrons according to orbital hybridization. The cover foreground shows chlorine in several oxidation states, as described by an explicit electron model. The background shows a graph of the pairwise potentials that provide these descriptions.