화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.110, No.13, 4287-4290, 2006
Mindless chemistry
Applications of ail automated stochastic search procedure for locating all possible minima with a given composition are illustrated by the pentatomic molecules BCNOS, CAlSiPS, C4B-, C4Al-, and CBe42-, as well as by C6Be, the C6Be2- dianion, and C6H2. All previously identified minima were reproduced, and many new structures, often with nonintuitive geometries, were found.