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Cover Image, Volume 35, Issue 17
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.23648
Subject(s) - cover (algebra) , electron , image (mathematics) , gold cluster , electron density , charge (physics) , volume (thermodynamics) , electron transfer , citation , physics , computer science , crystallography , condensed matter physics , materials science , chemistry , quantum mechanics , library science , artificial intelligence , electronic structure , mechanical engineering , engineering , organic chemistry
The concept of “electron deformation orbitals” (EDOs) is used by Marcos Mandado and Nicola's Ramos‐Berdullas on page 1261 (DOI: 10.1002/jcc.23595 ) to investigate the electric response of conducting metals and oligophenyl chains. The cover represents the electron transfer and the external electric voltage in a gold cluster (top figure) in an oligophenyl chain, which is attached to gold atoms (bottom figure), and a hybrid structure formed by the same oligophenyl chain, which is linked to gold chains at both sides (central figure). The electron deformation density associated with the main EDOs is shown, indicating positive and negative regions (accumulation and depletion of the electron charge) for the central figure and the direction of the electron transfer.