Open AccessSignificance of calculated cluster conformations of benzene: comment on a publication by D. E. Williams
Author(s) -
Van De Waal B. W.
Publication year - 1981
Publication title -
acta crystallographica section a
Language(s) - English
Resource type - Journals
eISSN - 1600-5724
pISSN - 0567-7394
DOI - 10.1107/s0567739481001654
Subject(s) - benzene , orthorhombic crystal system , cluster (spacecraft) , molecule , crystallography , materials science , chemistry , computational chemistry , physics , crystal structure , organic chemistry , computer science , programming language
Results of potential-energy minimization, applied to clusters of benzene molecules, have been reported recently by Williams [Acta Cryst. (1980), A36, 715-723]. Two stable tridecamer clusters were found and compared with a 13-molecule fragment from crystalline orthorhombic benzene. In this comment the significance of such a comparison is discussed and related to the size of the clusters