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Cover Image, Volume 36, Issue 31
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.24247
Subject(s) - cover (algebra) , benzene , volume (thermodynamics) , citation , computer science , ab initio , information retrieval , image (mathematics) , energy (signal processing) , combinatorics , chemistry , artificial intelligence , physics , mathematics , world wide web , thermodynamics , quantum mechanics , engineering , organic chemistry , mechanical engineering
The benzene‐benzene interaction (Bz‐Bz), tested on ab initio calculations of the intermolecular potential energy and given in a suitable analytical form, is used to formulate the multidimensional potential energy surface of Bz n clusters of growing size. On page 2291 (DOI: 10.1002/jcc.24201 ), Massimiliano Bartolomei, Fernando Pirani, and Jorge M.C. Marques adopt an evolutionary algorithm to identify the energy and structure of low lying isomers of the clusters, including the main features of the most stable configurations.