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Cover Image, Volume 38, Issue 31
Publication year - 2017
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.25087
Subject(s) - cover (algebra) , computer science , image (mathematics) , citation , frontier , covalent bond , volume (thermodynamics) , atomic orbital , information retrieval , chemistry , world wide web , artificial intelligence , geography , physics , thermodynamics , archaeology , engineering , quantum mechanics , mechanical engineering , organic chemistry , electron
Obtaining a material that can self‐heal under ambient conditions is a great promise and challenge in smart materials science. This can be achieved by a special class of bonds called dynamic bonds. From these, diarylbibenzofuranone (DABBF) dynamic covalent bond is an appealing solution, but it cannot react with oxygen or it will not show self‐healing behavior. On page 2675, G.R. Schleder, J.T. Arantes and A. Fazzio study the DABBF bond formation against oxidation using density functional theory (DFT). The cover image shows DABBF, oxygen, arylbenzofuranone (ABF), and its frontier orbitals. (DOI: 10.1002/jcc.24899 )