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