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Cover Image, Volume 34, Issue 23
Publication year - 2013
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.23392
Subject(s) - cover (algebra) , planar , citation , space (punctuation) , volume (thermodynamics) , image (mathematics) , computer science , cluster (spacecraft) , physics , art history , crystallography , combinatorics , computer graphics (images) , library science , chemistry , mathematics , artificial intelligence , quantum mechanics , art , mechanical engineering , engineering , programming language , operating system
The picture shows the density of the binding 6 s orbital combination for the most stable predicted planar D2h Au10 cluster, presented by Daniel A. Götz, Rolf Schäfer, and Peter Schwerdtfeger on page 1975 . The bonding molecular orbital lies deep within the 5 d space of gold due to relativistic effects stabilizing planar structures. The isomeric three‐dimensional C 2v structure lies close by in energy, making a prediction for the most stable geometric structure very difficult for quantum chemical methods.