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Computer Graphics in the Study of Metal Cluster Compounds
Author(s) -
Henrick Kim,
McPartlin Mary,
Morris Jill
Publication year - 1986
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198608533
Subject(s) - cluster (spacecraft) , metal , surface (topology) , molecule , computer graphics , graphics , catalysis , molecular graphics , chemistry , combinatorial chemistry , computer science , materials science , nanotechnology , chemical physics , computer graphics (images) , organic chemistry , geometry , mathematics , programming language
Polynuclear carbonylmetal compounds provide convenient molecular analogues for the reactions occurring at metal surfaces during catalytic processes. Many properties of these cluster compounds are determined by the type and distribution of the ligands covering the metal polyhedral surface. Computer simulated space‐filling models of these complicated molecules provide readily assimilated information about the arrangement of surface ligands, and in many cases lead to conclusions not readily deduced from other approaches.