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Cover Image, Volume 35, Issue 22
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.23691
Subject(s) - cover (algebra) , valence (chemistry) , citation , chemistry , image (mathematics) , computer science , crystallography , library science , artificial intelligence , organic chemistry , engineering , mechanical engineering
A solid‐state D 3h →D 3d reaction in monolayered TiS 2 is studied with topological methods of quantum chemistry. On page 1641 (DOI: 10.1002/jcc.23662 ). Maxim R. Ryzhikov et al. report the discovery of a weak exchange interaction between sulfur layers in H‐TiS 2 and TS‐TiS 2 states. The interaction indicates a reduction reaction accompanied by formation of a mixed Ti 4+ (d 0 )−Ti 2+ (d 2 ) valence oxidation state along withS 2 2 −anions. The result can be an important factor for understanding the nature of stabilization of MX 2 transition metal structures.