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Stagnation graphs and topological models of magnetic‐field induced electron current density for some small molecules in connection with their magnetic symmetry
Author(s) -
Pelloni Stefano,
Lazzeretti Paolo
Publication year - 2011
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22658
Subject(s) - magnetic field , symmetry (geometry) , electromagnetic shielding , physics , condensed matter physics , molecular symmetry , quantum mechanics , molecule , mathematics , geometry
Spatial models of magnetic‐field induced electronic currents have been constructed for a series of small molecules of different point group symmetry via stagnation graphs and current density maps. These tools provide fundamental help for rationalization of magnetic response properties, such as magnetizability and nuclear magnetic shielding. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011