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Cover Image, Volume 36, Issue 10
Publication year - 2015
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.23902
Subject(s) - cover (algebra) , delocalized electron , volume (thermodynamics) , dimer , line (geometry) , physics , computer science , nuclear magnetic resonance , geometry , mathematics , quantum mechanics , mechanical engineering , engineering
On page 707 (DOI: 10.1002/jcc.23841 ), Paolo Della Porta, Riccardo Zanasi, and Guglielmo Monaco report that when the helium dimer is put in a magnetic field perpendicular to the He‐He line, it develops a current density (top), which is mostly the superposition of two circulations localized on the atoms and separated by a line of saddle points (in blue). Upon magnification and filtration of strong currents, a tiny current delocalized over the dimer appears (bottom). The quantification of the delocalized current in this and other weak closed‐shell H‐H interactions gives information on the strength of the stabilizing interaction.