American Chemical Society
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Mindless Chemistry

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Version 2 2023-04-10, 12:33
Version 1 2016-05-05, 05:06
journal contribution
posted on 2023-04-10, 12:33 authored by Partha P. Bera, Kurt W. Sattelmeyer, Martin Saunders, Henry F. Schaefer, Paul v. R. Schleyer
Applications of an 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.