Publicados in Henry Rzepa's Blog

The (hopefully tongue-in-cheek) title Mindless chemistry was given to an article reporting[cite]10.1021/jp057107z[/cite] an automated stochastic search procedure for locating all possible minima with a given composition using high-level quantum mechanical calculations. “Many new structures, often with nonintuitive geometries, were found”. Well, another approach is to follow unexpected hunches.

References

Physical and Theoretical Chemistry
Inglês

Mindless Chemistry

Publicados in The Journal of Physical Chemistry A
Autores Partha P. Bera, Kurt W. Sattelmeyer, Martin Saunders, Henry F. Schaefer, Paul v. R. Schleyer