Metodologia AGOA: a modelagem de clusters de hidratação no complexo aziridina···ácido fluorídrico AGOA methodology: modeling the hydration clusters for the aziridine···hydrofluoric complex

<abstract language="eng">We present a theoretical study of solvent effect on C2H5N···HF hydrogen-bonded complex through the application of the AGOA methodology. By using the TIP4P model to orientate the configuration of water molecules, the hydration clusters generated by AGOA were obtained through...

Celý popis

Podrobná bibliografie

Hlavní autoři:	Boaz G. Oliveira, Regiane C. M. U. Araújo, Antônio B. Carvalho, Mozart N. Ramos
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Sociedade Brasileira de Química 2009-01-01
Edice:	Química Nova
Témata:	hydrogen complexes aziridine AGOA
On-line přístup:	http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422009000500019
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!