Construção de campo de força empírico para estudo de complexos de Fe(III) com interesse bioinorgânico
| Data(s) |
01/04/2006
|
|---|---|
| Resumo |
In this work we present a new parametrization in molecular mechanics for studying iron complexes. This force field was implemented in the FORCES 2000 program, developed in our group for studying in coordination compounds of interest in bioinorganic chemistry. Mononuclear and dinuclear iron complexes were studied using this program with good success. |
| Formato |
text/html |
| Identificador |
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422006000200018 |
| Idioma(s) |
pt |
| Publicador |
Sociedade Brasileira de Química |
| Fonte |
Química Nova v.29 n.2 2006 |
| Palavras-Chave | #molecular mechanics #coordination compounds #iron complexes |
| Tipo |
journal article |
