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Cover Image, Volume 119, Issue 8
Publication year - 2019
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.25922
Subject(s) - cover (algebra) , bhattacharyya distance , scalar (mathematics) , delocalized electron , economic shortage , computer science , physics , theoretical physics , mathematics , geometry , quantum mechanics , philosophy , linguistics , artificial intelligence , engineering , mechanical engineering , government (linguistics)
In his article e25848, Jose Enrique Barquera‐Lozada proposes the Trace of the Vorticity of the Current Density tensor (TVCD) scalar field as a suitable quantity for the evaluation of electron delocalization of three‐dimensional system. The image illustrates the TVCD scalar in the interior of a fullerene C 60 10+ (front) and C 60 (back) showing that the diatropicity of the former is related to its 3D aromaticity. Also depicted in the image are the complicated current densities around each fullerene. DOI: 10.1002/qua.25848