Alfredo Mayall Simas

Publication Activity (10 Years)

Years Active: 1984-2012
Publications (10 Years): 0

Top Topics

Search Algorithm

Multiresolution

Computing Systems

Top Venues

J. Comput. Chem.

Publications

Gustavo L. C. Moura, Alfredo Mayall Simas
calculation of closed shell systems. J. Comput. Chem. 33 (9) (2012)
Alfredo Mayall Simas, Ricardo Oliveira Freire, Gerd Bruno Rocha
Cerium (III) Complexes Modeling with Sparkle/PM3. International Conference on Computational Science (2) (2007)
Gerd Bruno Rocha, Ricardo Oliveira Freire, Alfredo Mayall Simas, James J. P. Stewart
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I. J. Comput. Chem. 27 (10) (2006)
Ricardo Oliveira Freire, Gerd Bruno Rocha, Alfredo Mayall Simas
Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III). J. Comput. Chem. 26 (14) (2005)
Alfredo Mayall Simas, Janusz Mrozek, Vedene H. Smith Jr.
Evaluation of Computer Hardware and Software for Scientific Calculations. Prax. Inf.verarb. Kommun. 7 (4) (1984)