Mindless chemistry.
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.
Center for Computational Chemistry, University of Georgia, 1004 Cedar Street, Athens, Georgia 30605-2525, USA.
Partha P
PP
Bera
Kurt W
KW
Sattelmeyer
Martin
M
Saunders
Henry F
HF
Schaefer
Paul v R
Pv
Schleyer