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Cover Image, Volume 117, Issue 15
Publication year - 2017
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25264
Subject(s) - cover (algebra) , ratification , montreal protocol , benchmark (surveying) , citation , reactivity (psychology) , computer science , volume (thermodynamics) , protocol (science) , political science , law and economics , library science , chemistry , sociology , law , engineering , physics , organic chemistry , mechanical engineering , alternative medicine , ozone layer , pathology , geodesy , quantum mechanics , ozone , medicine , politics , geography
Hydrofluoropolyethers are seen as promising environmental friendly third‐generation Chlorofluorocarbon replacements in countless applications, with their importance increasing after the ratification of the Kigali Amendment to the Montreal Protocol. In e25381, Viegas presents a DFT/M08‐HX benchmark study that lays themethodological foundations for future accurate calculations on the environmental impact, reactivity, and atmospheric degradation mechanisms of the recent and unexplored dimethoxyfluoropolyethers (left), and of the more common and already commercialized dihydrofluoropolyethers (right). (DOI: 10.1002/qua.25381 )