INVESTIGADORES
SILVA Maria Fernanda
artículos
Título:
A Theoretical Study on the Structure of 2-(2-Pyridylazo)-Phenol (PAP)
Autor/es:
LUCONI, M.; FERNANDEZ, L. P; MARIA FERNANDA SILVA; ZAMORA, M; DEVIA, G; ZAMARBIDE, M; ESTRADA, M
Revista:
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2001 vol. 543 p. 391 - 400
ISSN:
0166-1280
Resumen:
The conformational potential energy hypersurface (CPEH) has been analized for the titled compound using an initio MO computations. It was found that the global minimum is not the conformation which is involved in the complexation.
