| Literature DB >> 16571029 |
Partha P Bera1, Kurt W Sattelmeyer, Martin Saunders, Henry F Schaefer, Paul v R Schleyer.
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.Year: 2006 PMID： 16571029 DOI： 10.1021/jp057107z
Source DB: PubMed Journal: J Phys Chem A ISSN： 1089-5639 Impact factor: 2.781