Alfredo Mayall Simas

According to our database, Alfredo Mayall Simas authored at least 5 papers between 1984 and 2012.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2012

Quantum molecular mechanics - a noniterative procedure for the fast <i>Ab Initio</i> calculation of closed shell systems.

Gustavo L. C. Moura, Alfredo Mayall Simas

J. Comput. Chem., 2012

2007

Cerium (III) Complexes Modeling with Sparkle/PM3.

Alfredo Mayall Simas, Ricardo Oliveira Freire, Gerd Bruno Rocha

Proceedings of the Computational Science - ICCS 2007, 7th International Conference, Beijing, China, May 27, 2007

2006

RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I.

Gerd Bruno Rocha, Ricardo Oliveira Freire, Alfredo Mayall Simas, James J. P. Stewart

J. Comput. Chem., 2006

2005

Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III).

Ricardo Oliveira Freire, Gerd Bruno Rocha, Alfredo Mayall Simas

J. Comput. Chem., 2005

1984

Evaluation of Computer Hardware and Software for Scientific Calculations.

Alfredo Mayall Simas, Janusz Mrozek, Vedene H. Smith Jr.

Prax. Inf.verarb. Kommun., 1984