Mindless chemistry

J Phys Chem A. 2006 Apr 6;110(13):4287-90. doi: 10.1021/jp057107z.

Abstract

Applications of an automated stochastic search procedure for locating all possible minima with a given composition are illustrated by the pentatomic molecules BCNOS, CAlSiPS, C(4)B(-), C(4)Al(-), and CBe(4)(2-), as well as by C(6)Be, the C(6)Be(2-) dianion, and C(6)H(2). All previously identified minima were reproduced, and many new structures, often with nonintuitive geometries, were found.