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Cover Image, Volume 35, Issue 8
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.23568
Subject(s) - cover (algebra) , computer science , interoperability , citation , volume (thermodynamics) , file format , information retrieval , world wide web , computer graphics (images) , database , physics , mechanical engineering , quantum mechanics , engineering
On page 611 , Elda Rossi et al. show the benefit of common data standards in view of the interoperability of quantum chemical and quantum dynamics codes. The cover represents the program interoperability across domains; the Q5cost and D5cost library system renders the data format and the tools to interconnect different resources, including electronic structure and molecular dynamics codes. The lower image is produced by the Avogadro program from a cube file obtained from a Q5cost file, and illustrates one of the two edge orbital isodensity surfaces of a linear beryllium chain.